COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK881566
Chemical Name: (2Z)-2-(1,3-benzothiazol-2-ylcarbonyl)-3-{3-[4-(ethylsulfanyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}prop-2-enenitrile
Smiles: CCSc1ccc(cc1)c1nn(cc1/C=C(\C(=O)c1nc2c(s1)cccc2)/C#N)c1ccccc1

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Molecular Weight: 492.63
Empirical Formula: C28H20N4OS2

Physical State: Dry powder
Available Amount: 97 mg

Lipinsky:
logP: 7.478
Rotatable bonds: 4
H-donors: 0
H-acceptors: 1
PSA: 125
Number of rings: 5

     

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