833

Source:http://linkedlifedata.com/resource/chembl/compound/833

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
chemicalCompound:standardIn...	InChI=1S/C12H13ClN4/c13-9-2-1-3-10-12(9)15-8-11(16-10)17-6-4-14-5-7-17/h1-3,8,14H,4-7H2
chemicalCompound:standardIn...	KORBCJIHDGIPOA-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Clc1cccc2nc(cnc12)N3CCNCC3
chemicalCompound:molecularF...	C12H13ClN4
chemicalCompound:moleculeId	833
chemicalCompound:mwFreebase	248.711
chemicalCompound:alogp	2.081
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	41.05
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	1.395
chemicalCompound:acdLogD	0.505
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	248.711
chemicalCompound:acdMostBpk...	8.264
chemicalCompound:chemblId	CHEMBL266543
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:100833
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No