753906

Source:http://linkedlifedata.com/resource/chembl/compound/753906

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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:58538
chemicalCompound:standardIn...	InChI=1S/C13H10N2.ClH/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13;/h1-8H,(H2,14,15);1H
chemicalCompound:standardIn...	FTGPOQQGJVJDCT-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.Nc1c2ccccc2nc3ccccc13
chemicalCompound:molecularF...	C13H11ClN2
chemicalCompound:moleculeId	753906
chemicalCompound:mwFreebase	194.232
chemicalCompound:alogp	2.606
chemicalCompound:hba	2
chemicalCompound:hbd	1
chemicalCompound:psa	38.9
chemicalCompound:rtb	0
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.735
chemicalCompound:acdLogD	0.673
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	230.693
chemicalCompound:acdMostBpk...	9.656
chemicalCompound:chemblId	CHEMBL1330022
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:853906
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:3700107, activity:3857565, activity:3950607, activity:4227120, activity:4694054, activity:4767363, activity:4843530, activity:5008716, activity:5333307, activity:5433196, activity:5871768, activity:6498132, activity:6554938, activity:6732650, activity:6750212, activity:6843649, activity:6879570, activity:6954225, activity:6990552, activity:7037054, activity:7043731, activity:7107121, activity:7278147, activity:7556473