717040

Source:http://linkedlifedata.com/resource/chembl/compound/717040

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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:1041434
chemicalCompound:standardIn...	InChI=1S/C14H17Cl2NO2.ClH/c1-2-19-13(18)14(5-7-17-8-6-14)10-3-4-11(15)12(16)9-10;/h3-4,9,17H,2,5-8H2,1H3;1H
chemicalCompound:standardIn...	HJQBEBJKYGEVNO-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.CCOC(=O)C1(CCNCC1)c2ccc(Cl)c(Cl)c2
chemicalCompound:molecularF...	C14H18Cl3NO2
chemicalCompound:moleculeId	717040
chemicalCompound:mwFreebase	302.196
chemicalCompound:alogp	3.238
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	38.33
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.947
chemicalCompound:acdLogD	1
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	338.657
chemicalCompound:acdMostBpk...	9.374
chemicalCompound:chemblId	CHEMBL1290622
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:817040
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:3589922, activity:3589952, activity:3589982, activity:3590012