COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL417409
Chemical Name: (2E)-N-(1,3-benzodioxol-5-ylmethyl)-2-cyano-3-(4-methoxy-3-nitrophenyl)prop-2-enamide
Smiles: N#C/C(=C\c1ccc(c(c1)[N+](=O)[O-])OC)/C(=O)NCc1ccc2c(c1)OCO2

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Molecular Weight: 381.34
Empirical Formula: C19H15N3O6

Physical State: Dry powder
Available Amount: 154 mg

Lipinsky:
logP: 2.672
Rotatable bonds: 5
H-donors: 1
H-acceptors: 6
PSA: 126
Number of rings: 3

     

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