COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK706827
Chemical Name: (2Z)-2-(1,3-benzothiazol-2-yl)-3-(3-{3-[(4-fluorobenzyl)oxy]phenyl}-1-phenyl-1H-pyrazol-4-yl)prop-2-enenitrile
Smiles: N#C/C(=C/c1cn(nc1c1cccc(c1)OCc1ccc(cc1)F)c1ccccc1)/c1nc2c(s1)cccc2

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Molecular Weight: 528.61
Empirical Formula: C32H21FN4OS

Physical State: Dry powder
Available Amount: 406 mg

Lipinsky:
logP: 8.317
Rotatable bonds: 5
H-donors: 0
H-acceptors: 1
PSA: 91
Number of rings: 6

     

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