18321

Source:http://linkedlifedata.com/resource/chembl/compound/18321

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:synonym	synonym:18321_SCH-63390_RESEARCH_CODE
chemicalCompound:standardIn...	InChI=1S/C19H17N7O/c20-19-23-17-14(18-22-16(24-26(18)19)15-9-5-11-27-15)12-21-25(17)10-4-8-13-6-2-1-3-7-13/h1-3,5-7,9,11-12H,4,8,10H2,(H2,20,23)
chemicalCompound:standardIn...	XMXGGIWSFRIOKL-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Nc1nc2c(cnn2CCCc3ccccc3)c4nc(nn14)c5occc5
chemicalCompound:molecularF...	C19H17N7O
chemicalCompound:moleculeId	18321
chemicalCompound:mwFreebase	359.385
chemicalCompound:alogp	3.196
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	100.05
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	4.07
chemicalCompound:acdLogD	4.07
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	359.385
chemicalCompound:acdMostBpk...	2.768
chemicalCompound:chemblId	CHEMBL17121
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:118321
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	SCH-63390
chemicalCompound:activity	activity:381288, activity:381289, activity:381290, activity:381291, activity:915993, activity:915994, activity:915995, activity:915996, activity:915997, activity:915998, activity:1290460, activity:1290461, activity:1290462, activity:1290463, activity:1290464, activity:1290465, activity:1290466, activity:2916329, activity:2916515, activity:7985217, activity:7985249, activity:7985873, activity:7985961