COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK333914
Chemical Name: (4R,7S)-4-(2,5-dimethoxyphenyl)-3-hydroxy-7-(thiophen-2-yl)-1,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b]quinolin-5-one
Smiles: COc1ccc(c(c1)[C@H]1C2=C(C[C@@H](CC2=O)c2cccs2)Nc2c1c(O)n[nH]2)OC

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Molecular Weight: 423.49
Empirical Formula: C22H21N3O4S

Physical State: Dry powder
Available Amount: 387 mg

Lipinsky:
logP: 3.315
Rotatable bonds: 3
H-donors: 3
H-acceptors: 4
PSA: 124
Number of rings: 5

     

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