COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL170478
Chemical Name: 2-(1,3-benzothiazol-2-yl)-4-[(E)-(cyclooctylimino)methyl]-5-phenyl-1,2-dihydro-3H-pyrazol-3-one
Smiles: O=c1c(/C=N/C2CCCCCCC2)c([nH]n1c1nc2c(s1)cccc2)c1ccccc1

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Molecular Weight: 430.57
Empirical Formula: C25H26N4OS

Physical State: Dry powder
Available Amount: 49 mg

Lipinsky:
logP: 6.856
Rotatable bonds: 2
H-donors: 1
H-acceptors: 1
PSA: 85
Number of rings: 5

     

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