COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK473594
Chemical Name: ethyl2-{[(2E)-2-cyano-3-(2-{[3-(trifluoromethyl)benzyl]oxy}phenyl)prop-2-enoyl]amino}-5-(propan-2-yl)thiophene-3-carboxylate
Smiles: CCOC(=O)c1cc(sc1NC(=O)/C(=C/c1ccccc1OCc1cccc(c1)C(F)(F)F)/C#N)C(C)C

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Molecular Weight: 542.58
Empirical Formula: C28H25F3N2O4S

Physical State: Dry powder
Available Amount: 340 mg

Lipinsky:
logP: 8.898
Rotatable bonds: 9
H-donors: 1
H-acceptors: 4
PSA: 116
Number of rings: 3

     

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