COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL042557
Chemical Name: 4-oxo-4-[4-(pyridin-2-yl)piperazin-1-yl]-N-[(2Z)-5-(trifluoromethyl)-1,3,4-thiadiazol-2(3H)-ylidene]butanamide
Smiles: O=C(/N=c\1/[nH]nc(s1)C(F)(F)F)CCC(=O)N1CCN(CC1)c1ccccn1

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Molecular Weight: 414.41
Empirical Formula: C16H17F3N6O2S

Available Amount: 0 mg

Lipinsky:
logP: 0.97
Rotatable bonds: 3
H-donors: 1
H-acceptors: 2
PSA: 115
Number of rings: 3

     

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