COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK902231
Chemical Name: (2E)-1-(1,3-benzodioxol-5-yl)-3-[(3,5-dimethoxyphenyl)amino]prop-2-en-1-one
Smiles: COc1cc(N/C=C/C(=O)c2ccc3c(c2)OCO3)cc(c1)OC

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Molecular Weight: 327.34
Empirical Formula: C18H17NO5

Physical State: Dry powder
Available Amount: 60 mg

Lipinsky:
logP: 2.724
Rotatable bonds: 4
H-donors: 1
H-acceptors: 5
PSA: 66
Number of rings: 3

     

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