COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK333258
Chemical Name: 3-hydroxy-7,7-dimethyl-4-(3-nitrophenyl)-1,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b]quinolin-5-one
Smiles: O=C1CC(C)(C)CC2=C1C(c1cccc(c1)[N+](=O)[O-])c1c(N2)[nH]nc1O

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Molecular Weight: 354.37
Empirical Formula: C18H18N4O4

Physical State: Dry powder
Available Amount: 362 mg

Lipinsky:
logP: 2.855
Rotatable bonds: 2
H-donors: 3
H-acceptors: 4
PSA: 123
Number of rings: 4

     

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