COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK031262
Chemical Name: methyl4-{(1E)-3-[(2-chloro-5-nitrophenyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}benzoate
Smiles: N#C/C(=C\c1ccc(cc1)C(=O)OC)/C(=O)Nc1cc(ccc1Cl)[N+](=O)[O-]

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Molecular Weight: 385.76
Empirical Formula: C18H12ClN3O5

Physical State: Dry powder
Available Amount: 460 mg

Lipinsky:
logP: 4.314
Rotatable bonds: 2
H-donors: 1
H-acceptors: 5
PSA: 125
Number of rings: 2

     

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