COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL283969
Chemical Name: (4Z)-2-(1,3-benzothiazol-2-yl)-4-{1-[(3-chlorophenyl)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)/Nc1cccc(c1)Cl

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Molecular Weight: 539.51
Empirical Formula: C26H20Cl2N4OS2

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 8.657
Rotatable bonds: 3
H-donors: 1
H-acceptors: 1
PSA: 111
Number of rings: 5

     

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