418722

Source:http://linkedlifedata.com/resource/chembl/compound/418722

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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/C29H30N2O4/c1-2-29-14-8-15-30-16-13-22-21-11-6-7-12-23(21)31(25(22)26(29)30)24(19-29)28(33)35-18-17-34-27(32)20-9-4-3-5-10-20/h3-7,9-12,19,26H,2,8,13-18H2,1H3/t26-,29-/m1/s1
chemicalCompound:standardIn...	FHIRDHHCPXVOFW-GGXMVOPNSA-N
chemicalCompound:canonicalS...	CC[C@]12CCCN3CCc4c([C@H]13)n(C(=C2)C(=O)OCCOC(=O)c5ccccc5)c6ccccc46
chemicalCompound:molecularF...	C29 H30 N2 O4
chemicalCompound:moleculeId	418722
chemicalCompound:mwFreebase	470.559
chemicalCompound:alogp	5.449
chemicalCompound:hba	5
chemicalCompound:hbd	0
chemicalCompound:psa	60.77
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	5.2
chemicalCompound:acdLogD	4.677
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	470.559
chemicalCompound:acdMostBpk...	7.77
chemicalCompound:chemblId	CHEMBL254223
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:518722
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:2067506, activity:2067526, activity:2067538, activity:2067548