COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK741772
Chemical Name: 2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-{(E)-[(pyridin-3-ylmethyl)imino]methyl}-1,2-dihydro-3H-pyrazol-3-one
Smiles: Clc1ccc(cc1)SCc1[nH]n(c(=O)c1/C=N/Cc1cccnc1)c1nc2c(s1)cccc2

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Molecular Weight: 492.02
Empirical Formula: C24H18ClN5OS2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.444
Rotatable bonds: 5
H-donors: 1
H-acceptors: 1
PSA: 124
Number of rings: 5

     

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