Bioactive Compound Details

BioIDbio199401
NameNone
ChEMBL IDCHEMBL84010
Molecular FormulaC16H11NO2
Molecular Weight249.27
Molecular Weight (Monoisotopic)249.079
TypeSmall molecule
Max Phase--
Target IDTar81
Target NameNone
Synonyms2-Phenylamino-[1,4]Naphthoquinone
SmilesO=C1C=C(Nc2ccccc2)C(=O)c2ccccc21
InchiInChI=1S/C16H11NO2/c18-15-10-14(17-11-6-2-1-3-7-11)16(19)13-9-5-4-8-12(13)15/h1-10,17H
Inchi KeyOPECBHGHSFBITB-UHFFFAOYSA-N
Molecular SpeciesNEUTRAL
Targets68.0
Bioactivities130.0
Np Likeness Score0.18
Records Key['5a', '5', '3', 'SID24824101', 'SID135659550', 'SID144221523', 'SID135724474', '2i', 'PD1', '10', '4a', '2', 'JN-08', '1', '1']
Records Name['2-Phenylamino-[1,4]naphthoquinone', '2-(Anilino)-1,4-naphthoquinone', '2-(phenylamino)naphthalene-1,4-dione', 'SID24824101', 'SID135659550', 'SID144221523', 'SID135724474', '2-(Phenylamino)naphthalene-1,4-dione', '2-(Phenylamino)naphthalene-1,4-dione', '2-(phenylamino)naphthalene-1,4-dione', '2-(Phenylamino)naphthalene-1,4-dione', '2-(phenylamino)naphthalene-1,4-dione', 2-N'-(phenylamino)naphthalene-1,4-dione", '2-(phenylamino)naphthalene-1,4-dione', '2-(Phenylamino)naphthalene-1,4-dione']"
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure