676360

Source:http://linkedlifedata.com/resource/chembl/compound/676360

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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:9771
chemicalCompound:standardIn...	InChI=1S/C10H11N3O.ClH/c11-7-4-6-2-1-3-8-9(6)13(5-7)10(14)12-8;/h1-3,7H,4-5,11H2,(H,12,14);1H
chemicalCompound:standardIn...	OEUUMGGDPSRRKF-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.NC1Cc2cccc3nc(O)n(C1)c23
chemicalCompound:molecularF...	C10H12ClN3O
chemicalCompound:moleculeId	676360
chemicalCompound:mwFreebase	189.214
chemicalCompound:alogp	1.125
chemicalCompound:hba	3
chemicalCompound:hbd	2
chemicalCompound:psa	64.06
chemicalCompound:rtb	0
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.359
chemicalCompound:acdLogP	1.203
chemicalCompound:acdLogD	0.413
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	225.675
chemicalCompound:acdMostBpk...	7.949
chemicalCompound:chemblId	CHEMBL1202409
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:776360
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:307945, activity:307946