COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL382698
Chemical Name: 4-{(1E)-2-cyano-3-[(2-methyl-4-nitrophenyl)amino]-3-oxoprop-1-en-1-yl}phenyl3-chlorobenzoate
Smiles: N#C/C(=C\c1ccc(cc1)OC(=O)c1cccc(c1)Cl)/C(=O)Nc1ccc(cc1C)[N+](=O)[O-]

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Molecular Weight: 461.86
Empirical Formula: C24H16ClN3O5

Physical State: Dry powder
Available Amount: 110 mg

Lipinsky:
logP: 6.47
Rotatable bonds: 3
H-donors: 1
H-acceptors: 5
PSA: 125
Number of rings: 3

     

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