311994

Source:http://linkedlifedata.com/resource/chembl/compound/311994

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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/C18H15Cl3N2O/c19-14-3-1-13(2-4-14)17(7-9-23-10-8-22-12-23)24-18-6-5-15(20)11-16(18)21/h1-6,8,10-12,17H,7,9H2
chemicalCompound:standardIn...	VBQYLBYZZYCIGC-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Clc1ccc(cc1)C(CCn2ccnc2)Oc3ccc(Cl)cc3Cl
chemicalCompound:molecularF...	C18H15Cl3N2O
chemicalCompound:moleculeId	311994
chemicalCompound:mwFreebase	381.684
chemicalCompound:alogp	5.223
chemicalCompound:hba	2
chemicalCompound:hbd	0
chemicalCompound:psa	27.05
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	5.265
chemicalCompound:acdLogD	5.147
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	381.684
chemicalCompound:acdMostBpk...	6.895
chemicalCompound:chemblId	CHEMBL188367
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:411994
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:1463408, activity:1463409, activity:1463410, activity:1463411, activity:1463412, activity:1463413, activity:1463414, activity:1463415, activity:1463416, activity:1463417, activity:2461137, activity:2461138, activity:2461139, activity:2462413, activity:2462414, activity:2462415, activity:2462531, activity:2462532, activity:2463617, activity:2463645, activity:2463656, activity:2463674, activity:2463717, activity:2463742, activity:2463743, activity:2463863, activity:2463864, activity:2463865