COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK381418
Chemical Name: (2E)-3-(1,3-benzodioxol-5-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-cyanoprop-2-enamide
Smiles: N#C/C(=C\c1ccc2c(c1)OCO2)/C(=O)Nc1cc(ccc1Cl)C(F)(F)F

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Molecular Weight: 394.74
Empirical Formula: C18H10ClF3N2O3

Physical State: Dry powder
Available Amount: 118 mg

Lipinsky:
logP: 5.438
Rotatable bonds: 2
H-donors: 1
H-acceptors: 3
PSA: 71
Number of rings: 3

     

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