COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK027462
Chemical Name: (4E)-2-(1,3-benzothiazol-2-yl)-4-{1-[(4-chlorobenzyl)amino]ethylidene}-5-{[(4-chlorophenyl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one
Smiles: Clc1ccc(cc1)SCC1=NN(C(=O)/C/1=C(/NCc1ccc(cc1)Cl)\C)c1nc2c(s1)cccc2

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Molecular Weight: 539.51
Empirical Formula: C26H20Cl2N4OS2

Physical State: Dry powder
Available Amount: 353 mg

Lipinsky:
logP: 8.229
Rotatable bonds: 3
H-donors: 1
H-acceptors: 1
PSA: 111
Number of rings: 5

     

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