COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL046636
Chemical Name: 1-(1,3-benzothiazol-2-yl)-3-{[(4-chlorophenyl)sulfanyl]methyl}-4-{(1E)-N-[2-(phenylsulfanyl)phenyl]ethanimidoyl}-1H-pyrazol-5-ol
Smiles: Clc1ccc(cc1)SCc1nn(c(c1/C(=N/c1ccccc1Sc1ccccc1)/C)O)c1nc2c(s1)cccc2

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Molecular Weight: 599.2
Empirical Formula: C31H23ClN4OS3

Physical State: Dry powder
Available Amount: 301 mg

Lipinsky:
logP: 10.037
Rotatable bonds: 5
H-donors: 1
H-acceptors: 1
PSA: 142
Number of rings: 6

     

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