232774

Source:http://linkedlifedata.com/resource/chembl/compound/232774

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C16H15N3O2/c20-15-8-14-13-6-3-7-18(13)12-5-2-1-4-11(12)10-19(14)16(21)9-17-15/h1-7,14H,8-10H2,(H,17,20)
chemicalCompound:standardIn...	LXQFMYJYZUWLIF-UHFFFAOYSA-N
chemicalCompound:canonicalS...	O=C1CC2N(Cc3ccccc3n4cccc24)C(=O)CN1
chemicalCompound:molecularF...	C16 H15 N3 O2
chemicalCompound:moleculeId	232774
chemicalCompound:mwFreebase	281.309
chemicalCompound:alogp	1
chemicalCompound:hba	2
chemicalCompound:hbd	1
chemicalCompound:psa	54.34
chemicalCompound:rtb	0
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.378
chemicalCompound:acdLogD	2.378
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	281.309
chemicalCompound:chemblId	CHEMBL337763
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:332774
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:1086961, activity:1086962, activity:1086963, activity:1086964, activity:1086965, activity:1086966, activity:1086967