COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK902310
Chemical Name: (2E)-1-(1,3-benzodioxol-5-yl)-3-[(5-chloro-2-methoxyphenyl)amino]prop-2-en-1-one
Smiles: COc1ccc(cc1N/C=C/C(=O)c1ccc2c(c1)OCO2)Cl

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Molecular Weight: 331.76
Empirical Formula: C17H14ClNO4

Physical State: Dry powder
Available Amount: 40 mg

Lipinsky:
logP: 3.344
Rotatable bonds: 3
H-donors: 1
H-acceptors: 4
PSA: 56
Number of rings: 3

     

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