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JTU
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NAMES
  • JTU
SMILES
CCC(C)c1ccc(-c2nc3ccc(Br)cc3c(C(=O)O)c2C)cc1
InChI
InChI=1S/C21H20BrNO2/c1-4-12(2)14-5-7-15(8-6-14)20-13(3)19(21(24)25)17-11-16(22)9-10-18(17)23-20/h5-12H,4H2,1-3H3,(H,24,25)/t12-/m1/s1
MOLECULAR FORMULA
C21H20BrNO2
CROSS REFERENCES
  • UniChem: 54112165
  • canSAR: 1148343
  • PDBe (Protein Data Bank Europe): JTU
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JTU

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 397.07
AlogP 6.18
HBond donors 1
HBond acceptors 3
Atoms 45
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 JTU.