804765

Source:http://linkedlifedata.com/resource/chembl/compound/804765

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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/C19H19N3O5S2/c1-22(2)29(23,24)15-5-3-4-14(11-15)18-20-21-19(27-18)28-12-13-6-7-16-17(10-13)26-9-8-25-16/h3-7,10-11H,8-9,12H2,1-2H3
chemicalCompound:standardIn...	NCHMTCFPFPKPET-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CN(C)S(=O)(=O)c1cccc(c1)c2oc(SCc3ccc4OCCOc4c3)nn2
chemicalCompound:molecularF...	C19H19N3O5S2
chemicalCompound:moleculeId	804765
chemicalCompound:mwFreebase	433.501
chemicalCompound:alogp	2.698
chemicalCompound:hba	7
chemicalCompound:hbd	0
chemicalCompound:psa	128.44
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	4.229
chemicalCompound:acdLogD	4.229
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	433.501
chemicalCompound:chemblId	CHEMBL1380881
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:904765
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:3625119, activity:3921891, activity:4436360, activity:4457238, activity:4618292, activity:4739522, activity:4787984, activity:4968670, activity:5077482, activity:6542856, activity:6601179, activity:6793796, activity:7156409, activity:10788372