COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK009821
Chemical Name: propyl4-(4-chloro-3-nitrophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Smiles: CCCOC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)[N+](=O)[O-])Cl)C(=O)CC(C2)(C)C

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Molecular Weight: 432.9
Empirical Formula: C22H25ClN2O5

Physical State: Dry powder
Available Amount: 200 mg

Lipinsky:
logP: 3.856
Rotatable bonds: 5
H-donors: 1
H-acceptors: 5
PSA: 101
Number of rings: 3

     

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