1122540

Source:http://linkedlifedata.com/resource/chembl/compound/1122540

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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:873
chemicalCompound:standardIn...	InChI=1S/C13H15ClN4.ClH/c1-17-4-6-18(7-5-17)13-9-15-12-8-10(14)2-3-11(12)16-13;/h2-3,8-9H,4-7H2,1H3;1H
chemicalCompound:standardIn...	XSPITUBXSBDWTH-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.CN1CCN(CC1)c2cnc3cc(Cl)ccc3n2
chemicalCompound:molecularF...	C13H16Cl2N4
chemicalCompound:moleculeId	1122540
chemicalCompound:mwFreebase	262.738
chemicalCompound:alogp	2.617
chemicalCompound:hba	4
chemicalCompound:hbd	0
chemicalCompound:psa	32.26
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	1.18
chemicalCompound:acdLogD	1.156
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	299.199
chemicalCompound:acdMostBpk...	6.802
chemicalCompound:chemblId	CHEMBL1743969
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1222540
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:1052827, activity:1052828, activity:1052829, activity:1052830, activity:1052831, activity:1052832, activity:2158651