827445

Source:http://linkedlifedata.com/resource/chembl/compound/827445

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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/C18H17N3O3S/c1-23-15-8-12(9-16(24-2)17(15)22)10-19-21-11-14(20-18(21)25)13-6-4-3-5-7-13/h3-11,22H,1-2H3,(H,20,25)
chemicalCompound:standardIn...	WFNFYMSRFRXZNX-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1cc(C=Nn2cc(nc2S)c3ccccc3)cc(OC)c1O
chemicalCompound:molecularF...	C18H17N3O3S
chemicalCompound:moleculeId	827445
chemicalCompound:mwFreebase	355.411
chemicalCompound:alogp	4.142
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	107.67
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	3.087
chemicalCompound:acdLogP	4.373
chemicalCompound:acdLogD	2.762
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	355.411
chemicalCompound:acdMostBpk...	7.128
chemicalCompound:chemblId	CHEMBL1403561
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:927445
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:3732082, activity:3894957, activity:3973352, activity:4046725, activity:4281197, activity:4381553, activity:4749667, activity:4802874, activity:4879975, activity:4926418, activity:5335393, activity:5502565, activity:5560011, activity:5638326, activity:5684962, activity:6462836, activity:6566369, activity:6758101, activity:6777055, activity:7066557, activity:7161745, activity:7304987, activity:7410668, activity:7464621, activity:7465299