882361

Source:http://linkedlifedata.com/resource/chembl/compound/882361

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:1024
chemicalCompound:standardIn...	InChI=1S/C14H19N5O2.ClH/c1-4-21-11(20)9-6-5-7-10(8-9)19-13(16)17-12(15)18-14(19,2)3;/h5-8H,4H2,1-3H3,(H4,15,16,17,18);1H
chemicalCompound:standardIn...	XAVNBAPLEZJUSM-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.CCOC(=O)c1cccc(c1)N2C(=NC(=NC2(C)C)N)N
chemicalCompound:molecularF...	C14H20ClN5O2
chemicalCompound:moleculeId	882361
chemicalCompound:mwFreebase	289.333
chemicalCompound:alogp	1.163
chemicalCompound:hba	7
chemicalCompound:hbd	2
chemicalCompound:psa	106.3
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	0.879
chemicalCompound:acdLogD	-0.732
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	325.794
chemicalCompound:acdMostBpk...	9.229
chemicalCompound:chemblId	CHEMBL1458477
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:982361
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:3620987, activity:3766468, activity:4925453, activity:6567701, activity:7140503