912140

Source:http://linkedlifedata.com/resource/chembl/compound/912140

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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/C22H28ClNO2/c1-2-12-22(25,19-8-10-20(23)11-9-19)21(18-6-4-3-5-7-18)17-24-13-15-26-16-14-24/h3-11,21,25H,2,12-17H2,1H3
chemicalCompound:standardIn...	AVDNBGWMBOVJHY-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCCC(O)(C(CN1CCOCC1)c2ccccc2)c3ccc(Cl)cc3
chemicalCompound:molecularF...	C22H28ClNO2
chemicalCompound:moleculeId	912140
chemicalCompound:mwFreebase	373.916
chemicalCompound:alogp	4.473
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	32.7
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.74
chemicalCompound:acdLogP	3.979
chemicalCompound:acdLogD	3.847
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	373.916
chemicalCompound:acdMostBpk...	6.975
chemicalCompound:chemblId	CHEMBL1488256
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1012140
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:4224145, activity:4636415, activity:4904829, activity:5681326, activity:6512609, activity:6971932, activity:7263369