COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK373624
Chemical Name: propan-2-yl4-(4,5-dimethoxy-2-nitrophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Smiles: COc1cc([N+](=O)[O-])c(cc1OC)C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)OC(C)C

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Molecular Weight: 458.51
Empirical Formula: C24H30N2O7

Physical State: Dry powder
Available Amount: 530 mg

Lipinsky:
logP: 3.492
Rotatable bonds: 6
H-donors: 1
H-acceptors: 7
PSA: 119
Number of rings: 3

     

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