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Analogs

4984990
4984990

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Popular Name: 2-[(6aR)-6,12-dioxo-7,8,9,10-tetrahydro-6aH-pyrido[2,1-c][1,4]benzodiazepin-5-yl]-N-[(4-dimethylamin 2-[(6aR)-6,12-dioxo-7,8,9,10-tet…

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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) 2.14 8.64 -14.07 1 7 0 73 420.513 5 ↓

Analogs

4984990
4984990

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(6aS)-6,12-dioxo-7,8,9,10-tetrahydro-6aH-pyrido[2,1-c][1,4]benzodiazepin-5-yl]-N-[(4-dimethylamin 2-[(6aS)-6,12-dioxo-7,8,9,10-tet…

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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) 2.14 8.77 -21.81 1 7 0 73 420.513 5 ↓

Analogs

4985000
4985000

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Popular Name: 2-[(6aR)-6,12-dioxo-7,8,9,10-tetrahydro-6aH-pyrido[2,1-c][1,4]benzodiazepin-5-yl]-N-[(1S)-1-(4-fluor 2-[(6aR)-6,12-dioxo-7,8,9,10-tet…

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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) 2.77 9.14 -14.55 1 6 0 70 409.461 4 ↓

Analogs

4985000
4985000

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(6aR)-6,12-dioxo-7,8,9,10-tetrahydro-6aH-pyrido[2,1-c][1,4]benzodiazepin-5-yl]-N-[(1R)-1-(4-fluor 2-[(6aR)-6,12-dioxo-7,8,9,10-tet…

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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) 2.77 9.13 -14 1 6 0 70 409.461 4 ↓

Analogs

4985000
4985000

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(6aS)-6,12-dioxo-7,8,9,10-tetrahydro-6aH-pyrido[2,1-c][1,4]benzodiazepin-5-yl]-N-[(1S)-1-(4-fluor 2-[(6aS)-6,12-dioxo-7,8,9,10-tet…

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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) 2.77 9.26 -22.21 1 6 0 70 409.461 4 ↓

Analogs

4985000
4985000

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(6aS)-6,12-dioxo-7,8,9,10-tetrahydro-6aH-pyrido[2,1-c][1,4]benzodiazepin-5-yl]-N-[(1R)-1-(4-fluor 2-[(6aS)-6,12-dioxo-7,8,9,10-tet…

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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) 2.77 9.26 -21.46 1 6 0 70 409.461 4 ↓

Analogs

4984998
4984998

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(6aR)-6,12-dioxo-7,8,9,10-tetrahydro-6aH-pyrido[2,1-c][1,4]benzodiazepin-5-yl]-N-[(2-fluorophenyl 2-[(6aR)-6,12-dioxo-7,8,9,10-tet…

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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) 2.16 8.24 -15.34 1 6 0 70 395.434 4 ↓

Analogs

4984998
4984998

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(6aS)-6,12-dioxo-7,8,9,10-tetrahydro-6aH-pyrido[2,1-c][1,4]benzodiazepin-5-yl]-N-[(2-fluorophenyl 2-[(6aS)-6,12-dioxo-7,8,9,10-tet…

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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) 2.16 8.37 -23.09 1 6 0 70 395.434 4 ↓

Analogs

9304027
9304027
13624135
13624135
13624137
13624137

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(6aR)-6,12-dioxo-7,8,9,10-tetrahydro-6aH-pyrido[2,1-c][1,4]benzodiazepin-5-yl]-N-[(4-methylsulfon 2-[(6aR)-6,12-dioxo-7,8,9,10-tet…

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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) 0.91 5.76 -22.12 1 8 0 104 455.536 5 ↓

Analogs

9304027
9304027
13624135
13624135
13624137
13624137

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(6aS)-6,12-dioxo-7,8,9,10-tetrahydro-6aH-pyrido[2,1-c][1,4]benzodiazepin-5-yl]-N-[(4-methylsulfon 2-[(6aS)-6,12-dioxo-7,8,9,10-tet…

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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) 0.91 5.89 -29.92 1 8 0 104 455.536 5 ↓

Analogs

4984992
4984992

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(6aR)-6,12-dioxo-7,8,9,10-tetrahydro-6aH-pyrido[2,1-c][1,4]benzodiazepin-5-yl]-N-[(4-sulfamoylphe 2-[(6aR)-6,12-dioxo-7,8,9,10-tet…

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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) 0.74 3.31 -28.76 3 9 0 130 456.524 5 ↓

Analogs

4984992
4984992

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(6aS)-6,12-dioxo-7,8,9,10-tetrahydro-6aH-pyrido[2,1-c][1,4]benzodiazepin-5-yl]-N-[(4-sulfamoylphe 2-[(6aS)-6,12-dioxo-7,8,9,10-tet…

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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) 0.74 3.19 -21.44 3 9 0 130 456.524 5 ↓

Analogs

9304028
9304028
13624135
13624135
13624137
13624137

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(6aR)-6,12-dioxo-7,8,9,10-tetrahydro-6aH-pyrido[2,1-c][1,4]benzodiazepin-5-yl]-N-benzyl-N-(2-dime 2-[(6aR)-6,12-dioxo-7,8,9,10-tet…

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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) 1.82 12.52 -57.75 1 7 1 65 449.575 7 ↓

Analogs

9304028
9304028
13624135
13624135
13624137
13624137

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(6aS)-6,12-dioxo-7,8,9,10-tetrahydro-6aH-pyrido[2,1-c][1,4]benzodiazepin-5-yl]-N-benzyl-N-(2-dime 2-[(6aS)-6,12-dioxo-7,8,9,10-tet…

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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) 1.82 12.63 -72.34 1 7 1 65 449.575 7 ↓

Parameters Provided:

ring.id = 603477
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 = 603477 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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