11702

Source:http://linkedlifedata.com/resource/chembl/compound/11702

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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/C28H41NO2/c1-4-7-8-9-10-11-12-13-28(24-14-18-26(30)19-15-24)25-16-20-27(21-17-25)31-23-22-29(5-2)6-3/h13-21,30H,4-12,22-23H2,1-3H3/b28-13-
chemicalCompound:standardIn...	LOBACVSXLPCRPW-QDTIIGTASA-N
chemicalCompound:canonicalS...	CCCCCCCC\C=C(\c1ccc(O)cc1)/c2ccc(OCCN(CC)CC)cc2
chemicalCompound:molecularF...	C28 H41 N O2
chemicalCompound:moleculeId	11702
chemicalCompound:mwFreebase	423.631
chemicalCompound:alogp	8.033
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	32.7
chemicalCompound:rtb	15
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	10.259
chemicalCompound:acdLogP	8.154
chemicalCompound:acdLogD	5.971
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	423.631
chemicalCompound:acdMostBpk...	9.639
chemicalCompound:chemblId	CHEMBL276204
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:111702
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:636035, activity:636036, activity:636037, activity:636038, activity:636039, activity:636040