COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK326613
Chemical Name: (2E)-N-(1,3-benzodioxol-5-ylmethyl)-2-cyano-3-(2,5-dimethyl-1H-pyrrol-3-yl)prop-2-enamide
Smiles: N#C/C(=C\c1cc([nH]c1C)C)/C(=O)NCc1ccc2c(c1)OCO2

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Molecular Weight: 323.35
Empirical Formula: C18H17N3O3

Physical State: Dry powder
Available Amount: 547 mg

Lipinsky:
logP: 2.411
Rotatable bonds: 4
H-donors: 2
H-acceptors: 3
PSA: 87
Number of rings: 3

     

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