1058804

Source:http://linkedlifedata.com/resource/chembl/compound/1058804

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C18H15NO2/c1-19-18(21)13-7-5-12(6-8-13)14-9-10-16-15(11-14)3-2-4-17(16)20/h2-11,20H,1H3,(H,19,21)
chemicalCompound:standardIn...	BYBCSGOQYNZNRC-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CNC(=O)c1ccc(cc1)c2ccc3c(O)cccc3c2
chemicalCompound:molecularF...	C18H15NO2
chemicalCompound:moleculeId	1058804
chemicalCompound:mwFreebase	277.317
chemicalCompound:alogp	3.222
chemicalCompound:hba	2
chemicalCompound:hbd	2
chemicalCompound:psa	49.33
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.206
chemicalCompound:acdLogP	3.484
chemicalCompound:acdLogD	3.477
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	277.317
chemicalCompound:chemblId	CHEMBL1644045
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1158804
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:activity	activity:5133118, activity:5133189