COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL382725
Chemical Name: 4-{(1E)-3-[(2-chloro-4-nitrophenyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}phenyl2-nitrobenzoate
Smiles: N#C/C(=C\c1ccc(cc1)OC(=O)c1ccccc1[N+](=O)[O-])/C(=O)Nc1ccc(cc1Cl)[N+](=O)[O-]

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Molecular Weight: 492.83
Empirical Formula: C23H13ClN4O7

Physical State: Dry powder
Available Amount: 120 mg

Lipinsky:
logP: 5.314
Rotatable bonds: 3
H-donors: 1
H-acceptors: 7
PSA: 170
Number of rings: 3

     

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