677905

Source:http://linkedlifedata.com/resource/chembl/compound/677905

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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:420220
chemicalCompound:standardIn...	InChI=1S/C11H10N4O.ClH/c16-11-7-5-10(9-1-3-12-6-14-9)15-8(7)2-4-13-11;/h1,3,5-6,15H,2,4H2,(H,13,16);1H
chemicalCompound:standardIn...	KHWDEZGSIXUONI-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.O=C1NCCc2[nH]c(cc12)c3ccncn3
chemicalCompound:molecularF...	C11H11ClN4O
chemicalCompound:moleculeId	677905
chemicalCompound:mwFreebase	214.223
chemicalCompound:alogp	0.671
chemicalCompound:hba	3
chemicalCompound:hbd	2
chemicalCompound:psa	70.67
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.227
chemicalCompound:acdLogP	-0.038
chemicalCompound:acdLogD	-0.038
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	250.684
chemicalCompound:acdMostBpk...	1.891
chemicalCompound:chemblId	CHEMBL1203954
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:777905
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:2068749, activity:2068758