COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK799056
Chemical Name: (2E)-2-(1,3-benzothiazol-2-yl)-3-{3-[4-(hexyloxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}prop-2-enenitrile
Smiles: CCCCCCOc1ccc(cc1)c1nn(cc1/C=C(/c1nc2c(s1)cccc2)\C#N)c1ccccc1

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Molecular Weight: 504.66
Empirical Formula: C31H28N4OS

Physical State: Dry powder
Available Amount: 97 mg

Lipinsky:
logP: 9.317
Rotatable bonds: 7
H-donors: 0
H-acceptors: 1
PSA: 91
Number of rings: 5

     

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