COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK333241
Chemical Name: 3-hydroxy-7,7-dimethyl-4-[4-(methylsulfanyl)phenyl]-1,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b]quinolin-5-one
Smiles: CSc1ccc(cc1)C1C2=C(Nc3c1c(O)n[nH]3)CC(CC2=O)(C)C

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Molecular Weight: 355.46
Empirical Formula: C19H21N3O2S

Physical State: Dry powder
Available Amount: 613 mg

Lipinsky:
logP: 3.611
Rotatable bonds: 1
H-donors: 3
H-acceptors: 2
PSA: 103
Number of rings: 4

     

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