COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK472892
Chemical Name: (2E)-N-(2-chloro-5-nitrophenyl)-2-cyano-3-[3-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]prop-2-enamide
Smiles: N#C/C(=C\c1c[nH]nc1c1ccc(c(c1)OC)OC)/C(=O)Nc1cc(ccc1Cl)[N+](=O)[O-]

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Molecular Weight: 453.84
Empirical Formula: C21H16ClN5O5

Physical State: Dry powder
Available Amount: 137 mg

Lipinsky:
logP: 3.829
Rotatable bonds: 5
H-donors: 2
H-acceptors: 5
PSA: 145
Number of rings: 3

     

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