COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK799177
Chemical Name: (2E)-2-(1,3-benzothiazol-2-yl)-3-[3-(4-ethoxy-2-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]prop-2-enenitrile
Smiles: CCOc1ccc(c(c1)C)c1nn(cc1/C=C(/c1nc2c(s1)cccc2)\C#N)c1ccccc1

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Molecular Weight: 462.58
Empirical Formula: C28H22N4OS

Physical State: Dry powder
Available Amount: 103 mg

Lipinsky:
logP: 7.652
Rotatable bonds: 5
H-donors: 0
H-acceptors: 1
PSA: 91
Number of rings: 5

     

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