917615

Source:http://linkedlifedata.com/resource/chembl/compound/917615

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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/C24H26N2O4S/c1-18-6-3-4-9-23(18)31(28)17-21-10-11-22(30-21)24(27)26-14-12-25(13-15-26)19-7-5-8-20(16-19)29-2/h3-11,16H,12-15,17H2,1-2H3
chemicalCompound:standardIn...	WUMTZNSOJRLXMN-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1cccc(c1)N2CCN(CC2)C(=O)c3oc(C[S+]([O-])c4ccccc4C)cc3
chemicalCompound:molecularF...	C24H26N2O4S
chemicalCompound:moleculeId	917615
chemicalCompound:mwFreebase	438.539
chemicalCompound:alogp	4.147
chemicalCompound:hba	4
chemicalCompound:hbd	0
chemicalCompound:psa	82.2
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	-6.543
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	438.539
chemicalCompound:acdMostBpk...	2.5
chemicalCompound:chemblId	CHEMBL1493731
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1017615
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:3657009, activity:3671494, activity:3684420, activity:3700358, activity:3872920, activity:3951603, activity:4443304, activity:4701886, activity:4748673, activity:4767578, activity:4847551, activity:4905921, activity:4948095, activity:4970086, activity:5019279, activity:5382809, activity:5537836, activity:5648756, activity:5658621, activity:5859760, activity:5863179, activity:5874840, activity:5880694, activity:6696610, activity:6860230, activity:7073117, activity:7533179