760368

Source:http://linkedlifedata.com/resource/chembl/compound/760368

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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/C18H20ClNOS/c19-17-8-4-7-16(13-17)14-22-12-10-18(21)20-11-9-15-5-2-1-3-6-15/h1-8,13H,9-12,14H2,(H,20,21)
chemicalCompound:standardIn...	RURXCDAXKWUNCM-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Clc1cccc(CSCCC(=O)NCCc2ccccc2)c1
chemicalCompound:molecularF...	C18H20ClNOS
chemicalCompound:moleculeId	760368
chemicalCompound:mwFreebase	333.875
chemicalCompound:alogp	4.255
chemicalCompound:hba	2
chemicalCompound:hbd	1
chemicalCompound:psa	54.4
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.67
chemicalCompound:acdLogD	3.67
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	333.875
chemicalCompound:chemblId	CHEMBL1336484
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:860368
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:3892567, activity:4001660, activity:4151765, activity:4756428, activity:5500974, activity:5544291, activity:6566546, activity:6622833, activity:7268681