COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK333633
Chemical Name: 4-(4-hydroxy-3-methoxy-5-nitrophenyl)-3,7,7-trimethyl-1-(4-methylphenyl)-1,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b]quinolin-5-one
Smiles: COc1cc(cc(c1O)[N+](=O)[O-])C1C2=C(Nc3c1c(C)nn3c1ccc(cc1)C)CC(CC2=O)(C)C

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Molecular Weight: 488.54
Empirical Formula: C27H28N4O5

Physical State: Dry powder
Available Amount: 338 mg

Lipinsky:
logP: 5.025
Rotatable bonds: 3
H-donors: 2
H-acceptors: 5
PSA: 122
Number of rings: 5

     

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