COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK340414
Chemical Name: 1-({[(1E)-1-(1,3-benzodioxol-5-yl)ethylidene]amino}oxy)-4-{[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl}butan-1-one
Smiles: O=C(O/N=C(/c1ccc2c(c1)OCO2)\C)CCCS(=O)(=O)c1nc(cc(n1)C(F)(F)F)c1cccs1

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Molecular Weight: 541.53
Empirical Formula: C22H18F3N3O6S2

Available Amount: 0 mg

Lipinsky:
logP: 3.206
Rotatable bonds: 9
H-donors: 0
H-acceptors: 6
PSA: 153
Number of rings: 4

     

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