COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK036746
Chemical Name: benzyl4-(4-chloro-3-nitrophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Smiles: O=C(C1=C(C)NC2=C(C1c1ccc(c(c1)[N+](=O)[O-])Cl)C(=O)CCC2)OCc1ccccc1

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Molecular Weight: 452.89
Empirical Formula: C24H21ClN2O5

Physical State: Dry powder
Available Amount: 312 mg

Lipinsky:
logP: 3.237
Rotatable bonds: 4
H-donors: 1
H-acceptors: 5
PSA: 101
Number of rings: 4

     

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