COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK206742
Chemical Name: (4E)-2-(1,3-benzothiazol-2-yl)-4-[1-({2-[(4-chlorophenyl)sulfanyl]ethyl}amino)ethylidene]-5-phenyl-2,4-dihydro-3H-pyrazol-3-one
Smiles: Clc1ccc(cc1)SCCN/C(=C/1\C(=NN(C1=O)c1nc2c(s1)cccc2)c1ccccc1)/C

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Molecular Weight: 505.06
Empirical Formula: C26H21ClN4OS2

Physical State: Dry powder
Available Amount: 349 mg

Lipinsky:
logP: 7.505
Rotatable bonds: 3
H-donors: 1
H-acceptors: 1
PSA: 111
Number of rings: 5

     

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