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Popular Name: N-(3-chloro-2-methyl-phenyl)-2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[e]pyrimidin-4-amine N-(3-chloro-2-methyl-phenyl)-2-m…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.51 -0.39 -7.57 1 3 0 38 305.834 3 ↓

Analogs

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Popular Name: N-(5-chloro-2-methyl-phenyl)-2-methyl-6,7-dihydro-5H-cyclopenta[e]pyrimidin-4-amine N-(5-chloro-2-methyl-phenyl)-2-m…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.14 0.13 -8.06 1 3 0 38 273.767 2 ↓

Analogs

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Popular Name: N-(3-chloro-4-methyl-phenyl)-2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[e]pyrimidin-4-amine N-(3-chloro-4-methyl-phenyl)-2-m…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.53 -0.68 -7.46 1 3 0 38 305.834 3 ↓

Analogs

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Popular Name: N-(5-chloro-2-methoxy-phenyl)-2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[e]pyrimidin-4-amine N-(5-chloro-2-methoxy-phenyl)-2-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.14 -0.74 -8.43 1 4 0 47 321.833 4 ↓

Analogs

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Popular Name: N-(3-chlorophenyl)-2-methyl-6,7-dihydro-5H-cyclopenta[e]pyrimidin-4-amine N-(3-chlorophenyl)-2-methyl-6,7-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.75 -0.47 -6.62 1 3 0 38 259.74 2 ↓

Analogs

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Popular Name: N-(4-fluorophenyl)-2-methyl-6,7-dihydro-5H-cyclopenta[e]pyrimidin-4-amine N-(4-fluorophenyl)-2-methyl-6,7-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.25 0.41 -7.58 1 3 0 38 243.285 2 ↓

Analogs

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Popular Name: N-(3-chloro-4-methoxy-phenyl)-2-methyl-6,7-dihydro-5H-cyclopenta[e]pyrimidin-4-amine N-(3-chloro-4-methoxy-phenyl)-2-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.75 -0.41 -8.13 1 4 0 47 289.766 3 ↓

Analogs

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Popular Name: [3-[(2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[e]pyrimidin-4-yl)amino]phenyl] [3-[(2-methylsulfanyl-6,7-dihydr…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.01 0.63 -11.94 1 5 0 64 315.398 5 ↓

Analogs

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Popular Name: [3-[(2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[e]pyrimidin-4-yl)amino]phenyl] [3-[(2-methylsulfanyl-6,7-dihydr…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.89 -4.99 -15.72 1 6 0 81 351.453 5 ↓

Analogs

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Popular Name: [3-[(2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[e]pyrimidin-4-yl)amino]phenyl] [3-[(2-methylsulfanyl-6,7-dihydr…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.08 -0.24 -12.66 1 6 0 67 344.44 5 ↓

Analogs

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Popular Name: [3-[(2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[e]pyrimidin-4-yl)amino]phenyl] [3-[(2-methylsulfanyl-6,7-dihydr…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.89 -5.24 -13.73 1 7 0 84 380.495 6 ↓

Analogs

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Popular Name: [4-[(2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[e]pyrimidin-4-yl)amino]phenyl] [4-[(2-methylsulfanyl-6,7-dihydr…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.03 0.7 -12.6 1 5 0 64 315.398 5 ↓

Analogs

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Popular Name: [4-[(2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[e]pyrimidin-4-yl)amino]phenyl] [4-[(2-methylsulfanyl-6,7-dihydr…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.91 -5 -15.95 1 6 0 81 351.453 5 ↓

Analogs

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Popular Name: [4-[(2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[e]pyrimidin-4-yl)amino]phenyl] [4-[(2-methylsulfanyl-6,7-dihydr…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.10 -0.27 -13.35 1 6 0 67 344.44 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[(2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[e]pyrimidin-4-yl)amino]phenyl] [4-[(2-methylsulfanyl-6,7-dihydr…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.91 -5.39 -15.75 1 7 0 84 380.495 6 ↓

Analogs

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Popular Name: N-[3-(2-aminoethoxy)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine N-[3-(2-aminoethoxy)phenyl]-6,7-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.84 6.11 -48.38 4 5 1 75 271.344 5 ↓
Hi High (pH 8-9.5) 1.84 5.67 -8.73 3 5 0 73 270.336 5 ↓

Analogs

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Popular Name: 4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-3-fluoro-benzoic 4-(6,7-dihydro-5H-cyclopenta[d]p…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.01 9.18 -48.34 1 5 -1 78 272.259 3 ↓

Parameters Provided:

ring.id = 74683
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 74683 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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