COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK202538
Chemical Name: (2E)-N-(1,3-benzodioxol-5-ylmethyl)-2-cyano-3-(thiophen-2-yl)prop-2-enamide
Smiles: N#C/C(=C\c1cccs1)/C(=O)NCc1ccc2c(c1)OCO2

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Molecular Weight: 312.35
Empirical Formula: C16H12N2O3S

Physical State: Dry powder
Available Amount: 774 mg

Lipinsky:
logP: 2.775
Rotatable bonds: 4
H-donors: 1
H-acceptors: 3
PSA: 99
Number of rings: 3

     

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