COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL049318
Chemical Name: 4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-4-oxo-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)c1nc(C)cc(n1)C

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Molecular Weight: 443.45
Empirical Formula: C17H20F3N7O2S

Physical State: Dry powder
Available Amount: 1 mg

Lipinsky:
logP: 2.245
Rotatable bonds: 3
H-donors: 1
H-acceptors: 2
PSA: 128
Number of rings: 3

     

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