COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK404995
Chemical Name: 3-butan-2-yl6-methyl2,7-dimethyl-4-(2-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Smiles: CCC(OC(=O)C1=C(C)NC2=C(C1c1ccccc1[N+](=O)[O-])C(=O)C(C(C2)C)C(=O)OC)C

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Molecular Weight: 456.5
Empirical Formula: C24H28N2O7

Physical State: Dry powder
Available Amount: 164 mg

Lipinsky:
logP: 3.264
Rotatable bonds: 7
H-donors: 1
H-acceptors: 7
PSA: 127
Number of rings: 3

     

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