COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK440526
Chemical Name: (2E)-3-[1-(2-chlorobenzyl)-3-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]-2-cyano-N-(pyridin-3-ylmethyl)prop-2-enamide
Smiles: N#C/C(=C\c1cn(nc1c1ccc(c(c1)OC)OC)Cc1ccccc1Cl)/C(=O)NCc1cccnc1

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Molecular Weight: 513.98
Empirical Formula: C28H24ClN5O3

Physical State: Dry powder
Available Amount: 970 mg

Lipinsky:
logP: 3.157
Rotatable bonds: 9
H-donors: 1
H-acceptors: 3
PSA: 102
Number of rings: 4

     

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