251

Source:http://linkedlifedata.com/resource/chembl/compound/251

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/C18H15N3O2/c1-2-8-19-13(4-1)17-18(21-9-3-5-16(21)20-17)12-6-7-14-15(10-12)23-11-22-14/h1-2,4,6-8,10H,3,5,9,11H2
chemicalCompound:standardIn...	MUYFXUIFVHSJSW-UHFFFAOYSA-N
chemicalCompound:canonicalS...	C1Cc2nc(c3ccccn3)c(c4ccc5OCOc5c4)n2C1
chemicalCompound:molecularF...	C18H15N3O2
chemicalCompound:moleculeId	251
chemicalCompound:mwFreebase	305.331
chemicalCompound:alogp	3.242
chemicalCompound:hba	4
chemicalCompound:hbd	0
chemicalCompound:psa	49.17
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.77
chemicalCompound:acdLogD	2.77
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	305.331
chemicalCompound:acdMostBpk...	4.402
chemicalCompound:chemblId	CHEMBL268889
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:100251
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:985557, activity:985558, activity:3009948, activity:7349880