1219

Source:http://linkedlifedata.com/resource/chembl/compound/1219

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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/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3
chemicalCompound:standardIn...	SGTNSNPWRIOYBX-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC
chemicalCompound:molecularF...	C27H38N2O4
chemicalCompound:moleculeId	1219
chemicalCompound:mwFreebase	454.602
chemicalCompound:alogp	5.534
chemicalCompound:hba	6
chemicalCompound:hbd	0
chemicalCompound:psa	63.95
chemicalCompound:rtb	13
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	4.024
chemicalCompound:acdLogD	2.455
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	454.602
chemicalCompound:acdMostBpk...	8.97
chemicalCompound:chemblId	CHEMBL6966
chemicalCompound:maxPhase	4
chemicalCompound:therapeuti...	1
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:101219
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	Yes
chemicalCompound:parenteral	Yes
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:9948
chemicalCompound:activity	activity:5346287, activity:5761766, activity:6457299, activity:6699068, activity:6797911, activity:7043062, activity:7094373, activity:7346173, activity:7434851, activity:7453759, activity:7481254, activity:7516901, activity:7535467, activity:7544929, activity:7545437