1159094

Source:http://linkedlifedata.com/resource/chembl/compound/1159094

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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/C27H33N3O3/c1-33-24-10-5-4-9-23(24)29-17-15-28(16-18-29)13-6-14-30-25(31)19-27(20-26(30)32)12-11-21-7-2-3-8-22(21)27/h2-5,7-10H,6,11-20H2,1H3
chemicalCompound:standardIn...	DIHJKGKNVGCNHJ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1ccccc1N2CCN(CCCN3C(=O)CC4(CCc5ccccc45)CC3=O)CC2
chemicalCompound:molecularF...	C27H33N3O3
chemicalCompound:moleculeId	1159094
chemicalCompound:mwFreebase	447.569
chemicalCompound:alogp	3.288
chemicalCompound:hba	5
chemicalCompound:hbd	0
chemicalCompound:psa	53.09
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.257
chemicalCompound:acdLogD	2.977
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	447.569
chemicalCompound:acdMostBpk...	7.592
chemicalCompound:chemblId	CHEMBL1796049
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1259094
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:6264454, activity:6264455, activity:6264456