COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK881170
Chemical Name: (2E)-2-(1,3-benzothiazol-2-yl)-3-{3-[4-(butylsulfanyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}prop-2-enenitrile
Smiles: CCCCSc1ccc(cc1)c1nn(cc1/C=C(/c1nc2c(s1)cccc2)\C#N)c1ccccc1

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Molecular Weight: 492.67
Empirical Formula: C29H24N4S2

Physical State: Dry powder
Available Amount: 402 mg

Lipinsky:
logP: 8.925
Rotatable bonds: 5
H-donors: 0
H-acceptors: 0
PSA: 108
Number of rings: 5

     

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