COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK739756
Chemical Name: butyl2-{[(2E)-2-cyano-3-(furan-2-yl)prop-2-enoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Smiles: CCCCOC(=O)c1c(NC(=O)/C(=C/c2ccco2)/C#N)sc2c1CCCC2

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Molecular Weight: 398.48
Empirical Formula: C21H22N2O4S

Physical State: Dry powder
Available Amount: 320 mg

Lipinsky:
logP: 7.696
Rotatable bonds: 7
H-donors: 1
H-acceptors: 4
PSA: 120
Number of rings: 3

     

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