COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK472607
Chemical Name: methyl2-{[(2E)-2-cyano-3-(4-{[3-(trifluoromethyl)benzyl]oxy}phenyl)prop-2-enoyl]amino}-5-(propan-2-yl)thiophene-3-carboxylate
Smiles: N#C/C(=C\c1ccc(cc1)OCc1cccc(c1)C(F)(F)F)/C(=O)Nc1sc(cc1C(=O)OC)C(C)C

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Molecular Weight: 528.55
Empirical Formula: C27H23F3N2O4S

Physical State: Dry powder
Available Amount: 205 mg

Lipinsky:
logP: 8.306
Rotatable bonds: 6
H-donors: 1
H-acceptors: 4
PSA: 116
Number of rings: 3

     

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