161

Source:http://linkedlifedata.com/resource/chembl/compound/161

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:synonym	synonym:161_PMS-601_RESEARCH_CODE
chemicalCompound:standardIn...	InChI=1S/C30H41N3O10/c1-9-31(10-2)30(36)43-18-21-17-32(28(34)19-13-22(37-3)26(41-7)23(14-19)38-4)11-12-33(21)29(35)20-15-24(39-5)27(42-8)25(16-20)40-6/h13-16,21H,9-12,17-18H2,1-8H3
chemicalCompound:standardIn...	QKSXEJNMSRTCRE-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCN(CC)C(=O)OCC1CN(CCN1C(=O)c2cc(OC)c(OC)c(OC)c2)C(=O)c3cc(OC)c(OC)c(OC)c3
chemicalCompound:molecularF...	C30 H41 N3 O10
chemicalCompound:moleculeId	161
chemicalCompound:mwFreebase	603.661
chemicalCompound:alogp	2.794
chemicalCompound:hba	10
chemicalCompound:hbd	0
chemicalCompound:psa	125.54
chemicalCompound:rtb	13
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	1.984
chemicalCompound:acdLogD	1.984
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	603.661
chemicalCompound:chemblId	CHEMBL6322
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:100161
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	PMS-601
chemicalCompound:activity	activity:66145, activity:71453, activity:71454, activity:71455, activity:71456, activity:1839858, activity:1839859, activity:1839860, activity:1839891, activity:1839892, activity:1839893, activity:1839894, activity:1839895, activity:1839896, activity:1839897, activity:1839900