733332

Source:http://linkedlifedata.com/resource/chembl/compound/733332

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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/C24H29ClN2O2/c1-18-20-8-5-9-21(25)23(20)26-22(18)16-27-13-10-24(17-28,11-14-27)12-15-29-19-6-3-2-4-7-19/h2-9,26,28H,10-17H2,1H3
chemicalCompound:standardIn...	BOBHPMQFFUSAAV-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1c(CN2CCC(CO)(CCOc3ccccc3)CC2)[nH]c4c(Cl)cccc14
chemicalCompound:molecularF...	C24H29ClN2O2
chemicalCompound:moleculeId	733332
chemicalCompound:mwFreebase	412.952
chemicalCompound:alogp	5.112
chemicalCompound:hba	3
chemicalCompound:hbd	2
chemicalCompound:psa	48.49
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	4.5
chemicalCompound:acdLogD	2.535
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	412.952
chemicalCompound:acdMostBpk...	8.891
chemicalCompound:chemblId	CHEMBL1309448
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:833332
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:3665370, activity:3811185, activity:3841683, activity:3960512, activity:4067157, activity:4172683, activity:4274427, activity:4628466, activity:4901302, activity:4943875, activity:4971419, activity:4973221, activity:5017681, activity:5063644, activity:5402876, activity:5528694, activity:5530702, activity:5561339, activity:5650056, activity:5684062, activity:5796696, activity:5801137, activity:5854281, activity:5959183, activity:6459068, activity:6946583, activity:6997428, activity:7016909, activity:7067280, activity:7091999, activity:7303358, activity:7551046, activity:8260922, activity:10422540