COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK472706
Chemical Name: propan-2-yl2-{[(2E)-2-cyano-3-(4-methoxy-3-{[3-(trifluoromethyl)phenoxy]methyl}phenyl)prop-2-enoyl]amino}thiophene-3-carboxylate
Smiles: N#C/C(=C\c1ccc(c(c1)COc1cccc(c1)C(F)(F)F)OC)/C(=O)Nc1sccc1C(=O)OC(C)C

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Molecular Weight: 544.55
Empirical Formula: C27H23F3N2O5S

Physical State: Dry powder
Available Amount: 301 mg

Lipinsky:
logP: 8.251
Rotatable bonds: 9
H-donors: 1
H-acceptors: 5
PSA: 125
Number of rings: 3

     

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