75

Source:http://linkedlifedata.com/resource/chembl/compound/75

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/C17H15N3O2/c1-12-9-15(20-17(22)19-16(21)11-18-20)8-7-14(12)10-13-5-3-2-4-6-13/h2-9,11H,10H2,1H3,(H,19,21,22)
chemicalCompound:standardIn...	NRBLBHBWDRKIIY-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1cc(ccc1Cc2ccccc2)N3N=CC(=O)NC3=O
chemicalCompound:molecularF...	C17 H15 N3 O2
chemicalCompound:moleculeId	75
chemicalCompound:mwFreebase	293.32
chemicalCompound:alogp	3.25
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	61.77
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	6.649
chemicalCompound:acdLogP	3.675
chemicalCompound:acdLogD	2.877
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	293.32
chemicalCompound:acdMostBpk...	0.436
chemicalCompound:chemblId	CHEMBL6226
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:100075
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:218820