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4U9
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NAMES
  • 4U9
SMILES
Fc1cccc(Cl)c1-c1nc(-c2ccc(C#Cc3ccc(C(F)(F)F)cc3)nc2)c(Br)[nH]1
InChI
InChI=1S/C23H11BrClF4N3/c24-21-20(31-22(32-21)19-17(25)2-1-3-18(19)26)14-7-11-16(30-12-14)10-6-13-4-8-15(9-5-13)23(27,28)29/h1-5,7-9,11-12H,(H,31,32)
MOLECULAR FORMULA
C23H11BrClF4N3
CROSS REFERENCES
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4U9

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 518.98
AlogP 7.11
HBond donors 1
HBond acceptors 3
Atoms 43
Contains toxicophore No
Contains PAINS No
Commercially available Unknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by 4U9.