COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL055235
Chemical Name: 4-{4-[(4-chlorophenoxy)methyl]piperazin-1-yl}-4-oxo-N-[(2Z)-5-(trifluoromethyl)-1,3,4-thiadiazol-2(3H)-ylidene]butanamide
Smiles: O=C(N1CCN(CC1)COc1ccc(cc1)Cl)CCC(=O)/N=c\1/[nH]nc(s1)C(F)(F)F

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Molecular Weight: 477.89
Empirical Formula: C18H19ClF3N5O3S

Physical State: Dry powder
Available Amount: 124 mg

Lipinsky:
logP: 3.095
Rotatable bonds: 4
H-donors: 1
H-acceptors: 3
PSA: 111
Number of rings: 3

     

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