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Analogs

25465156
25465156

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Popular Name: N-(4-chloro-2-methoxy-5-methyl-phenyl)-2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyls N-(4-chloro-2-methoxy-5-methyl-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) 3.79 8.09 -20.16 2 6 0 84 437.974 6 ↓

Analogs

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Popular Name: (2R)-N-(2,5-diethoxyphenyl)-2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]pro (2R)-N-(2,5-diethoxyphenyl)-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) 3.90 8.66 -22.57 2 7 0 93 461.609 9 ↓

Analogs

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Popular Name: (2S)-N-(2,5-diethoxyphenyl)-2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]pro (2S)-N-(2,5-diethoxyphenyl)-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) 3.90 8.67 -22.68 2 7 0 93 461.609 9 ↓

Analogs

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Popular Name: (2R)-2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-N-[3-(methanesulfonamido) (2R)-2-[(5,6-dimethyl-4-oxo-3H-t…

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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) 2.72 5.66 -55.05 2 8 -1 123 479.629 7 ↓
Lo Low (pH 4.5-6) 2.72 5.61 -25.04 3 8 0 121 480.637 7 ↓

Analogs

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Popular Name: (2S)-2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-N-[3-(methanesulfonamido) (2S)-2-[(5,6-dimethyl-4-oxo-3H-t…

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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) 2.72 5.67 -54.47 2 8 -1 123 479.629 7 ↓
Lo Low (pH 4.5-6) 2.72 5.6 -25.19 3 8 0 121 480.637 7 ↓

Analogs

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Popular Name: N-(2-cyanoethyl)-2-[(4-hydroxy-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-N-phenyl-ace N-(2-cyanoethyl)-2-[(4-hydroxy-5…

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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) 2.45 10.63 -25.76 1 6 0 90 412.54 7 ↓
Hi High (pH 8-9.5) 2.91 8.32 -59.68 0 6 -1 93 411.532 7 ↓

Analogs

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Popular Name: N-[4-(difluoromethoxy)phenyl]-2-[(4-hydroxy-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl] N-[4-(difluoromethoxy)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) 3.36 7.11 -25.7 2 6 0 84 425.482 7 ↓

Analogs

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Popular Name: (2R)-2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-N-[2-propoxy-5-(trifluoro (2R)-2-[(5,6-dimethyl-4-oxo-3H-t…

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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) 4.87 10.33 -21.24 2 6 0 84 499.58 9 ↓

Analogs

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Popular Name: (2S)-2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-N-[2-propoxy-5-(trifluoro (2S)-2-[(5,6-dimethyl-4-oxo-3H-t…

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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) 4.87 10.33 -21.29 2 6 0 84 499.58 9 ↓

Parameters Provided:

ring.id = 107161
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 = 107161 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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