COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL021032
Chemical Name: butyl2-{[(2E)-2-cyano-3-(4-fluorophenyl)prop-2-enoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Smiles: CCCCOC(=O)c1c(NC(=O)/C(=C/c2ccc(cc2)F)/C#N)sc2c1CCCC2

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Molecular Weight: 426.51
Empirical Formula: C23H23FN2O3S

Physical State: Dry powder
Available Amount: 360 mg

Lipinsky:
logP: 8.084
Rotatable bonds: 6
H-donors: 1
H-acceptors: 3
PSA: 107
Number of rings: 3

     

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