COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK472880
Chemical Name: (2E)-3-[1-(2-chlorobenzyl)-3-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]-2-cyano-N-(2-nitrophenyl)prop-2-enamide
Smiles: N#C/C(=C\c1cn(nc1c1ccc(c(c1)OC)OC)Cc1ccccc1Cl)/C(=O)Nc1ccccc1[N+](=O)[O-]

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Molecular Weight: 543.97
Empirical Formula: C28H22ClN5O5

Physical State: Dry powder
Available Amount: 180 mg

Lipinsky:
logP: 5.187
Rotatable bonds: 7
H-donors: 1
H-acceptors: 5
PSA: 134
Number of rings: 4

     

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