COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK952777
Chemical Name: ethyl2-({(2Z)-2-cyano-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Smiles: CCOC(=O)c1c(NC(=O)/C(=C\c2cccc(c2)C(F)(F)F)/C#N)sc2c1CCCC2

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Molecular Weight: 448.47
Empirical Formula: C22H19F3N2O3S

Physical State: Dry powder
Available Amount: 360 mg

Lipinsky:
logP: 7.869
Rotatable bonds: 5
H-donors: 1
H-acceptors: 3
PSA: 107
Number of rings: 3

     

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