1282446

Source:http://linkedlifedata.com/resource/chembl/compound/1282446

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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/C24H18ClNO2S/c1-15(2)24(27)20-10-9-19(12-21(20)25)28-13-23-26-22(14-29-23)18-8-7-16-5-3-4-6-17(16)11-18/h3-12,14H,1,13H2,2H3
chemicalCompound:standardIn...	CWRAYPOUQLAVRK-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(=C)C(=O)c1ccc(OCc2nc(cs2)c3ccc4ccccc4c3)cc1Cl
chemicalCompound:molecularF...	C24H18ClNO2S
chemicalCompound:moleculeId	1282446
chemicalCompound:mwFreebase	419.923
chemicalCompound:alogp	6.449
chemicalCompound:hba	3
chemicalCompound:hbd	0
chemicalCompound:psa	67.43
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	5.433
chemicalCompound:acdLogD	5.433
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	419.923
chemicalCompound:acdMostBpk...	1.727
chemicalCompound:chemblId	CHEMBL1956920
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1382446
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:8059101, activity:8059124