COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK506399
Chemical Name: (2E)-N-(3-chloro-4-methylphenyl)-2-cyano-3-(4,5-dimethoxy-2-nitrophenyl)prop-2-enamide
Smiles: N#C/C(=C\c1cc(OC)c(cc1[N+](=O)[O-])OC)/C(=O)Nc1ccc(c(c1)Cl)C

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Molecular Weight: 401.81
Empirical Formula: C19H16ClN3O5

Physical State: Dry powder
Available Amount: 109 mg

Lipinsky:
logP: 4.601
Rotatable bonds: 4
H-donors: 1
H-acceptors: 5
PSA: 117
Number of rings: 2

     

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