COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK514875
Chemical Name: (2Z)-2-(1,3-benzothiazol-2-yl)-3-[3-(4-butoxy-3-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]prop-2-enenitrile
Smiles: CCCCOc1ccc(cc1F)c1nn(cc1/C=C(\c1nc2c(s1)cccc2)/C#N)c1ccccc1

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Molecular Weight: 494.59
Empirical Formula: C29H23FN4OS

Physical State: Dry powder
Available Amount: 101 mg

Lipinsky:
logP: 8.227
Rotatable bonds: 7
H-donors: 0
H-acceptors: 1
PSA: 91
Number of rings: 5

     

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