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A0J
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NAMES
  • A0J
SMILES
Cn1cc(-c2ccc3c(c2)C(C)(Cc2ccccc2)C(=O)N3)cn1
InChI
InChI=1S/C20H19N3O/c1-20(11-14-6-4-3-5-7-14)17-10-15(16-12-21-23(2)13-16)8-9-18(17)22-19(20)24/h3-10,12-13H,11H2,1-2H3,(H,22,24)/t20-/m1/s1
MOLECULAR FORMULA
C20H19N3O
CROSS REFERENCES
  • UniChem: 100545835
  • canSAR: 1433046
  • PDBe (Protein Data Bank Europe): A0J
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A0J

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 317.15
AlogP 3.54
HBond donors 1
HBond acceptors 4
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 A0J.