COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK066828
Chemical Name: 1,5-dimethyl-2-phenyl-4-{[(2E)-1,1,1-trifluoro-4-oxo-4-(thiophen-2-yl)but-2-en-2-yl]amino}-1,2-dihydro-3H-pyrazol-3-one
Smiles: O=C(c1cccs1)/C=C(\C(F)(F)F)/Nc1c(C)n(n(c1=O)c1ccccc1)C

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Molecular Weight: 407.42
Empirical Formula: C19H16F3N3O2S

Physical State: Dry powder
Available Amount: 1 mg

Lipinsky:
logP: 3.353
Rotatable bonds: 2
H-donors: 1
H-acceptors: 2
PSA: 80
Number of rings: 3

     

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