30

Source:http://linkedlifedata.com/resource/chembl/compound/30

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/C17H15N3O3/c1-11-9-13(20-17(23)19-15(21)10-18-20)7-8-14(11)16(22)12-5-3-2-4-6-12/h2-10,16,22H,1H3,(H,19,21,23)
chemicalCompound:standardIn...	YWQVTKJCJCEWGL-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1cc(ccc1C(O)c2ccccc2)N3N=CC(=O)NC3=O
chemicalCompound:molecularF...	C17 H15 N3 O3
chemicalCompound:moleculeId	30
chemicalCompound:mwFreebase	309.319
chemicalCompound:alogp	2.283
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	82
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	6.595
chemicalCompound:acdLogP	1.969
chemicalCompound:acdLogD	1.124
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	309.319
chemicalCompound:acdMostBpk...	0.188
chemicalCompound:chemblId	CHEMBL6268
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:100030
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:193908, activity:193909, activity:928787, activity:957533, activity:1229196