COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK071096
Chemical Name: 4-(1,3-benzodioxol-5-yl)-2,7,7-trimethyl-N-(2-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
Smiles: CC1=C(C(=O)Nc2ccccc2C)C(C2=C(N1)CC(C)(C)CC2=O)c1ccc2c(c1)OCO2

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Molecular Weight: 444.53
Empirical Formula: C27H28N2O4

Physical State: Dry powder
Available Amount: 195 mg

Lipinsky:
logP: 4.554
Rotatable bonds: 2
H-donors: 2
H-acceptors: 4
PSA: 76
Number of rings: 5

     

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