COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK537649
Chemical Name: (2E)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-({2-[(trifluoromethyl)sulfanyl]phenyl}amino)prop-2-enenitrile
Smiles: N#C/C(=C\Nc1ccccc1SC(F)(F)F)/c1scc(n1)c1ccc2c(c1)OCO2

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Molecular Weight: 447.46
Empirical Formula: C20H12F3N3O2S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.345
Rotatable bonds: 3
H-donors: 1
H-acceptors: 2
PSA: 120
Number of rings: 4

     

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