COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL439241
Chemical Name: 2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-1-(4-nitrophenyl)ethanone
Smiles: O=C(c1ccc(cc1)[N+](=O)[O-])CN1CCN(CC1)c1nc2c(s1)cccc2

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Molecular Weight: 382.44
Empirical Formula: C19H18N4O3S

Physical State: Dry powder
Available Amount: 44 mg

Lipinsky:
logP: 3.387
Rotatable bonds: 1
H-donors: 0
H-acceptors: 3
PSA: 110
Number of rings: 4

     

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