466606

Source:http://linkedlifedata.com/resource/chembl/compound/466606

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C18H14Cl2N4/c19-14-5-1-12(2-6-14)16-18(24-10-9-21-11-24)17(23-22-16)13-3-7-15(20)8-4-13/h1-11,16,18,22H/t16-,18-/m1/s1
chemicalCompound:standardIn...	QOOVSOKVOXFZNX-SJLPKXTDSA-N
chemicalCompound:canonicalS...	Clc1ccc(cc1)[C@H]2NN=C([C@@H]2n3ccnc3)c4ccc(Cl)cc4
chemicalCompound:molecularF...	C18H14Cl2N4
chemicalCompound:moleculeId	466606
chemicalCompound:mwFreebase	357.237
chemicalCompound:alogp	3.842
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	42.21
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.133
chemicalCompound:acdLogD	3.131
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	357.237
chemicalCompound:acdMostBpk...	5.891
chemicalCompound:chemblId	CHEMBL457475
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:566606
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:2215582, activity:2215602, activity:2215622