6886

Source:http://linkedlifedata.com/resource/chembl/compound/6886

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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:6886_LY-117018_RESEARCH_CODE
chemicalCompound:standardIn...	InChI=1S/C27H25NO4S/c29-20-7-3-19(4-8-20)27-25(23-12-9-21(30)17-24(23)33-27)26(31)18-5-10-22(11-6-18)32-16-15-28-13-1-2-14-28/h3-12,17,29-30H,1-2,13-16H2
chemicalCompound:standardIn...	JLERVPBPJHKRBJ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Oc1ccc(cc1)c2sc3cc(O)ccc3c2C(=O)c4ccc(OCCN5CCCC5)cc4
chemicalCompound:molecularF...	C27H25NO4S
chemicalCompound:moleculeId	6886
chemicalCompound:mwFreebase	459.557
chemicalCompound:alogp	6.005
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	98.24
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	8.818
chemicalCompound:acdLogP	4.042
chemicalCompound:acdLogD	1.998
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	459.557
chemicalCompound:acdMostBpk...	9.474
chemicalCompound:chemblId	CHEMBL10030
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:106886
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	LY-117018
chemicalCompound:activity	activity:302912, activity:302913, activity:302914, activity:417830, activity:417831, activity:640890, activity:640891, activity:663803, activity:663804, activity:663805, activity:663806, activity:663807, activity:1028272, activity:1028273, activity:1028274, activity:1028275, activity:1028276, activity:1028277, activity:1028278, activity:1028279