COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK898906
Chemical Name: (2E)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-[2-(trifluoromethyl)phenyl]prop-2-enenitrile
Smiles: N#C/C(=C\c1ccccc1C(F)(F)F)/c1scc(n1)c1ccc2c(c1)OCO2

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Molecular Weight: 400.38
Empirical Formula: C20H11F3N2O2S

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 6.281
Rotatable bonds: 3
H-donors: 0
H-acceptors: 2
PSA: 83
Number of rings: 4

     

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