COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK899511
Chemical Name: 4-{(1E)-2-cyano-3-[(2-nitrophenyl)amino]-3-oxoprop-1-en-1-yl}phenyl4-methylbenzoate
Smiles: N#C/C(=C\c1ccc(cc1)OC(=O)c1ccc(cc1)C)/C(=O)Nc1ccccc1[N+](=O)[O-]

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Molecular Weight: 427.42
Empirical Formula: C24H17N3O5

Physical State: Dry powder
Available Amount: 60 mg

Lipinsky:
logP: 5.467
Rotatable bonds: 2
H-donors: 1
H-acceptors: 5
PSA: 125
Number of rings: 3

     

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