COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL295726
Chemical Name: (4E)-2-(4-bromophenyl)-4-{[(6-chloro-1,3-benzothiazol-2-yl)amino]methylidene}-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Smiles: Brc1ccc(cc1)N1N=C(/C(=C\Nc2nc3c(s2)cc(cc3)Cl)/C1=O)C

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Molecular Weight: 447.74
Empirical Formula: C18H12BrClN4OS

Physical State: Dry powder
Available Amount: 155 mg

Lipinsky:
logP: 4.806
Rotatable bonds: 0
H-donors: 1
H-acceptors: 1
PSA: 85
Number of rings: 4

     

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