COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK422853
Chemical Name: (2E)-3-(1,3-benzodioxol-5-yl)-2-cyano-N-[1-(3,4-dimethylphenyl)ethyl]prop-2-enamide
Smiles: N#C/C(=C\c1ccc2c(c1)OCO2)/C(=O)NC(c1ccc(c(c1)C)C)C

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Molecular Weight: 348.4
Empirical Formula: C21H20N2O3

Physical State: Dry powder
Available Amount: 829 mg

Lipinsky:
logP: 4.487
Rotatable bonds: 4
H-donors: 1
H-acceptors: 3
PSA: 71
Number of rings: 3

     

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