COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK469945
Chemical Name: methyl(2E)-3-[1-(2-chlorobenzyl)-3-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]-2-cyanoprop-2-enoate
Smiles: COC(=O)/C(=C/c1cn(nc1c1ccc(c(c1)OC)OC)Cc1ccccc1Cl)/C#N

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Molecular Weight: 437.88
Empirical Formula: C23H20ClN3O4

Physical State: Dry powder
Available Amount: 322 mg

Lipinsky:
logP: 3.379
Rotatable bonds: 8
H-donors: 0
H-acceptors: 4
PSA: 86
Number of rings: 3

     

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