822078

Source:http://linkedlifedata.com/resource/chembl/compound/822078

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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/C33H35NO8/c1-37-24-19-25(38-2)31-23(20-11-7-6-8-12-20)18-29(36)42-33(31)30(24)22(17-28(35)34-13-9-10-14-34)21-15-26(39-3)32(41-5)27(16-21)40-4/h6-8,11-12,15-16,18-19,22H,9-10,13-14,17H2,1-5H3
chemicalCompound:standardIn...	DUJFBAAKSXBINP-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1cc(cc(OC)c1OC)C(CC(=O)N2CCCC2)c3c(OC)cc(OC)c4C(=CC(=O)Oc34)c5ccccc5
chemicalCompound:molecularF...	C33H35NO8
chemicalCompound:moleculeId	822078
chemicalCompound:mwFreebase	573.633
chemicalCompound:alogp	4.946
chemicalCompound:hba	8
chemicalCompound:hbd	0
chemicalCompound:psa	92.76
chemicalCompound:rtb	10
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.524
chemicalCompound:acdLogD	3.524
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	573.633
chemicalCompound:chemblId	CHEMBL1398194
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:922078
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:3692255, activity:3699689, activity:4232136, activity:4349424, activity:4820089, activity:4820475, activity:4905078, activity:4996115, activity:5031376, activity:5359919, activity:5388212, activity:5407781, activity:5466377, activity:5640244, activity:5791651, activity:5978116, activity:6588920, activity:6726193, activity:6992498, activity:7033049, activity:7059586, activity:7165668, activity:7224510, activity:7234490, activity:7276031