747889

Source:http://linkedlifedata.com/resource/chembl/compound/747889

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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/C15H15N3OS2/c1-9-4-3-5-11(6-9)7-12-8-17-15(21-12)18-13(19)10(2)20-14(18)16/h3-6,8,10,16H,7H2,1-2H3
chemicalCompound:standardIn...	MHFJPGDMYSQGCH-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC1SC(=N)N(C1=O)c2ncc(Cc3cccc(C)c3)s2
chemicalCompound:molecularF...	C15H15N3OS2
chemicalCompound:moleculeId	747889
chemicalCompound:mwFreebase	317.429
chemicalCompound:alogp	3.694
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	110.59
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.758
chemicalCompound:acdLogD	3.758
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	317.429
chemicalCompound:acdMostBpk...	2.986
chemicalCompound:chemblId	CHEMBL1324005
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:847889
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:3629148, activity:3639093, activity:3757349, activity:3768478, activity:4048773, activity:4087271, activity:4105197, activity:4339276, activity:4403240, activity:4608524, activity:4678385, activity:4803207, activity:4945442, activity:5329967, activity:5409871, activity:5436833, activity:5535972, activity:5564052, activity:5571290, activity:5573158, activity:5664428, activity:5681324, activity:5863910, activity:5879231, activity:5976313, activity:6424985, activity:6774910, activity:7033484, activity:7052591, activity:7268775, activity:7369966, activity:7373491, activity:7537122, activity:10102082, activity:10419029