543797

Source:http://linkedlifedata.com/resource/chembl/compound/543797

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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:12872
chemicalCompound:synonym	synonym:543797_BMY-7378_RESEARCH_CODE
chemicalCompound:standardIn...	InChI=1S/C22H31N3O3.2ClH/c1-28-19-7-3-2-6-18(19)24-13-10-23(11-14-24)12-15-25-20(26)16-22(17-21(25)27)8-4-5-9-22;;/h2-3,6-7H,4-5,8-17H2,1H3;2*1H
chemicalCompound:standardIn...	NIBOMXUDFLRHRV-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.Cl.COc1ccccc1N2CCN(CCN3C(=O)CC4(CCCC4)CC3=O)CC2
chemicalCompound:molecularF...	C22H33Cl2N3O3
chemicalCompound:moleculeId	543797
chemicalCompound:mwFreebase	385.5
chemicalCompound:alogp	2.62
chemicalCompound:hba	5
chemicalCompound:hbd	0
chemicalCompound:psa	53.09
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.848
chemicalCompound:acdLogD	2.68
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	458.422
chemicalCompound:acdMostBpk...	7.154
chemicalCompound:chemblId	CHEMBL543741
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:643797
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:285686, activity:285687, activity:285688, activity:285689, activity:658398, activity:691376, activity:691377, activity:691378, activity:691379, activity:691380, activity:691381, activity:691382, activity:691383, activity:691384, activity:691385, activity:691386, activity:691387, activity:774599, activity:774600, activity:774601, activity:774602, activity:774603, activity:774604, activity:3628404, activity:3988005, activity:4141666, activity:4535784, activity:5766581, activity:5856682, activity:7008815