543970

Source:http://linkedlifedata.com/resource/chembl/compound/543970

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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:33675
chemicalCompound:standardIn...	InChI=1S/C19H23NO5.ClH/c1-21-17-8-5-9-18(22-2)19(17)23-11-10-20-12-14-13-24-15-6-3-4-7-16(15)25-14;/h3-9,14,20H,10-13H2,1-2H3;1H
chemicalCompound:standardIn...	KAHMEWANVDFFCQ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.COc1cccc(OC)c1OCCNCC2COc3ccccc3O2
chemicalCompound:molecularF...	C19H24ClNO5
chemicalCompound:moleculeId	543970
chemicalCompound:mwFreebase	345.39
chemicalCompound:alogp	2.846
chemicalCompound:hba	6
chemicalCompound:hbd	1
chemicalCompound:psa	58.18
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.903
chemicalCompound:acdLogD	2.486
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	381.851
chemicalCompound:acdMostBpk...	7.609
chemicalCompound:chemblId	CHEMBL556001
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:643970
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:327166, activity:327167, activity:527770, activity:527771, activity:527772, activity:3472885, activity:3488245, activity:3489010, activity:3489124, activity:3489125, activity:3489126, activity:3489127, activity:3635960, activity:3663040, activity:3697235, activity:3974220, activity:4279511, activity:4358762, activity:4536280, activity:4539081, activity:4570437, activity:4974379, activity:4981611, activity:5050638, activity:5730799, activity:5776826, activity:6787170, activity:6925135, activity:7012599, activity:7437504