COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK062844
Chemical Name: (4E)-2-(1,3-benzothiazol-2-yl)-4-{1-[(4-chlorobenzyl)amino]propylidene}-5-{[(4-chlorophenyl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one
Smiles: CC/C(=C\1/C(=NN(C1=O)c1nc2c(s1)cccc2)CSc1ccc(cc1)Cl)/NCc1ccc(cc1)Cl

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Molecular Weight: 553.54
Empirical Formula: C27H22Cl2N4OS2

Physical State: Dry powder
Available Amount: 313 mg

Lipinsky:
logP: 8.76
Rotatable bonds: 4
H-donors: 1
H-acceptors: 1
PSA: 111
Number of rings: 5

     

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