COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK881052
Chemical Name: (2Z)-2-(1,3-benzothiazol-2-yl)-3-{1-phenyl-3-[4-(propylsulfanyl)phenyl]-1H-pyrazol-4-yl}prop-2-enenitrile
Smiles: CCCSc1ccc(cc1)c1nn(cc1/C=C(\c1nc2c(s1)cccc2)/C#N)c1ccccc1

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Molecular Weight: 478.64
Empirical Formula: C28H22N4S2

Physical State: Dry powder
Available Amount: 401 mg

Lipinsky:
logP: 8.394
Rotatable bonds: 4
H-donors: 0
H-acceptors: 0
PSA: 108
Number of rings: 5

     

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