COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK434611
Chemical Name: (2E)-3-(6-chloro-1,3-benzodioxol-5-yl)-2-cyano-N-(2,5-dimethoxyphenyl)prop-2-enamide
Smiles: COc1ccc(c(c1)NC(=O)/C(=C/c1cc2OCOc2cc1Cl)/C#N)OC

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Molecular Weight: 386.79
Empirical Formula: C19H15ClN2O5

Physical State: Dry powder
Available Amount: 625 mg

Lipinsky:
logP: 4.224
Rotatable bonds: 4
H-donors: 1
H-acceptors: 5
PSA: 89
Number of rings: 3

     

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