COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL294947
Chemical Name: (4E)-2-(4-chlorophenyl)-5-methyl-4-{[(6-nitro-1,3-benzothiazol-2-yl)amino]methylidene}-2,4-dihydro-3H-pyrazol-3-one
Smiles: Clc1ccc(cc1)N1N=C(/C(=C\Nc2nc3c(s2)cc(cc3)[N+](=O)[O-])/C1=O)C

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Molecular Weight: 413.84
Empirical Formula: C18H12ClN5O3S

Physical State: Dry powder
Available Amount: 325 mg

Lipinsky:
logP: 3.765
Rotatable bonds: 0
H-donors: 1
H-acceptors: 3
PSA: 131
Number of rings: 4

     

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