398319

Source:http://linkedlifedata.com/resource/chembl/compound/398319

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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/C28H47N3O2S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-29-27(33)26-22-34-28(31-26)24-17-19-25(20-18-24)30-23(2)32/h17-20,26,28,31H,3-16,21-22H2,1-2H3,(H,29,33)(H,30,32)/t26-,28?/m0/s1
chemicalCompound:standardIn...	WPQBPMVCQNILHH-QODXOHEASA-N
chemicalCompound:canonicalS...	CCCCCCCCCCCCCCCCNC(=O)[C@@H]1CSC(N1)c2ccc(NC(=O)C)cc2
chemicalCompound:molecularF...	C28H47N3O2S
chemicalCompound:moleculeId	398319
chemicalCompound:mwFreebase	489.757
chemicalCompound:alogp	7.118
chemicalCompound:hba	4
chemicalCompound:hbd	3
chemicalCompound:psa	95.53
chemicalCompound:rtb	18
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	9.219
chemicalCompound:acdLogD	9.191
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	489.757
chemicalCompound:acdMostBpk...	6.347
chemicalCompound:chemblId	CHEMBL236918
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:498319
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:1970606, activity:1970612, activity:1970636, activity:2611725, activity:2611726, activity:2611727, activity:2611728, activity:2611729, activity:2611730, activity:3107852, activity:3107883, activity:3107900, activity:3107962, activity:3108001, activity:3108023, activity:3108031, activity:3108044, activity:3108066, activity:3108137, activity:3109264, activity:3109265, activity:3109266, activity:3109267, activity:3109268, activity:3109269, activity:3109270, activity:3109271, activity:3109272, activity:3109273, activity:3109274, activity:3109275, activity:3109276, activity:3109277, activity:3109278, activity:3109279, activity:3109280, activity:3109281, activity:3109282, activity:3109283, activity:3109284, activity:3109285, activity:3109286, activity:3109287, activity:3109288, activity:3109289, activity:3109290, activity:3109291, activity:3109292, activity:3109293, activity:3109294, activity:3109295, activity:3109296, activity:3109297, activity:3109298, activity:3109299, activity:3109300, activity:3109301, activity:3109302, activity:3109303, activity:3109304, activity:3109305, activity:3109306, activity:3109307, activity:3109308, activity:3109309, activity:3109310, activity:3109311