1027677

Source:http://linkedlifedata.com/resource/chembl/compound/1027677

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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:1048329
chemicalCompound:standardIn...	InChI=1S/C16H14ClN3O.ClH/c1-11-2-8-14(9-3-11)21-10-15-18-16(20-19-15)12-4-6-13(17)7-5-12;/h2-9H,10H2,1H3,(H,18,19,20);1H
chemicalCompound:standardIn...	LXUWNKGRQWDNGH-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.Cc1ccc(OCc2n[nH]c(n2)c3ccc(Cl)cc3)cc1
chemicalCompound:molecularF...	C16H15Cl2N3O
chemicalCompound:moleculeId	1027677
chemicalCompound:mwFreebase	299.755
chemicalCompound:alogp	4.121
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	50.8
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.103
chemicalCompound:acdLogP	4.709
chemicalCompound:acdLogD	4.7
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	336.216
chemicalCompound:acdMostBpk...	1.211
chemicalCompound:chemblId	CHEMBL1603793
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1127677
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:3810331, activity:6826816, activity:6860325, activity:7373090, activity:7508396