A4J
FEATURES
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NAMES
  • A4J
SMILES
C[C@]1(O)CCN(c2nc(N3C[C@H](O)[C@@H](O)C3)cc(C(F)(F)F)c2C#N)C1
InChI
InChI=1S/C16H19F3N4O3/c1-15(26)2-3-22(8-15)14-9(5-20)10(16(17,18)19)4-13(21-14)23-6-11(24)12(25)7-23/h4,11-12,24-26H,2-3,6-8H2,1H3/t11-,12-,15-/m0/s1
MOLECULAR FORMULA
C16H19F3N4O3
CROSS REFERENCES
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A4J
Compound Synopsis
OVERVIEW
PROPERTIES
Molecular weight372.14
AlogP0.47
HBond donors3
HBond acceptors7
Atoms45
Contains toxicophoreNo
Contains PAINSNo
Commercially availableUnknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by A4J.