323357

Source:http://linkedlifedata.com/resource/chembl/compound/323357

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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/C29H33N3O2/c33-26-3-1-2-25(19-26)32-13-12-23-18-27(34)10-11-28(23)29(32)22-6-8-24(9-7-22)31-16-14-30(15-17-31)20-21-4-5-21/h1-3,6-11,18-19,21,29,33-34H,4-5,12-17,20H2
chemicalCompound:standardIn...	RKEFNNDFHCTSIV-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Oc1cccc(c1)N2CCc3cc(O)ccc3C2c4ccc(cc4)N5CCN(CC6CC6)CC5
chemicalCompound:molecularF...	C29 H33 N3 O2
chemicalCompound:moleculeId	323357
chemicalCompound:mwFreebase	455.591
chemicalCompound:alogp	5.718
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	50.18
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.906
chemicalCompound:acdLogP	3.829
chemicalCompound:acdLogD	3.712
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	455.591
chemicalCompound:acdMostBpk...	6.998
chemicalCompound:chemblId	CHEMBL191711
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:423357
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:1514092, activity:1514093, activity:1514094, activity:1514095, activity:1514096, activity:1514097