980822

Source:http://linkedlifedata.com/resource/chembl/compound/980822

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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/C15H17N3O2/c1-15(2)6-12-11(13(19)7-15)9-17-14(18-12)16-8-10-4-3-5-20-10/h3-5,9H,6-8H2,1-2H3,(H,16,17,18)
chemicalCompound:standardIn...	MOLAOSJPDDJIOI-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC1(C)CC(=O)c2cnc(NCc3occc3)nc2C1
chemicalCompound:molecularF...	C15H17N3O2
chemicalCompound:moleculeId	980822
chemicalCompound:mwFreebase	271.314
chemicalCompound:alogp	1.66
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	68.02
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	1
chemicalCompound:acdLogD	1
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	271.314
chemicalCompound:acdMostBpk...	1.705
chemicalCompound:chemblId	CHEMBL1556938
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1080822
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:4121780, activity:4202312, activity:4710720, activity:5937366, activity:7531622