COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK815023
Chemical Name: (2E)-2-(1,3-benzothiazol-2-yl)-3-[3-(3-fluoro-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]prop-2-enenitrile
Smiles: N#C/C(=C\c1cn(nc1c1ccc(c(c1)F)OC)c1ccccc1)/c1nc2c(s1)cccc2

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Molecular Weight: 452.51
Empirical Formula: C26H17FN4OS

Physical State: Dry powder
Available Amount: 103 mg

Lipinsky:
logP: 6.633
Rotatable bonds: 4
H-donors: 0
H-acceptors: 1
PSA: 91
Number of rings: 5

     

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