242999

Source:http://linkedlifedata.com/resource/chembl/compound/242999

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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/C19H24ClN3O2S/c1-24-18-12-15(4-7-17(18)25-11-9-21)13-23-19(26)22-10-8-14-2-5-16(20)6-3-14/h2-7,12H,8-11,13,21H2,1H3,(H2,22,23,26)
chemicalCompound:standardIn...	HDRFKJZUJQBRMH-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1cc(C\N=C(/S)\NCCc2ccc(Cl)cc2)ccc1OCCN
chemicalCompound:molecularF...	C19 H24 Cl N3 O2 S
chemicalCompound:moleculeId	242999
chemicalCompound:mwFreebase	393.931
chemicalCompound:alogp	3.944
chemicalCompound:hba	6
chemicalCompound:hbd	3
chemicalCompound:psa	107.67
chemicalCompound:rtb	10
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	2.918
chemicalCompound:acdLogD	-0.338
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	393.931
chemicalCompound:acdMostBpk...	14.533
chemicalCompound:chemblId	CHEMBL358974
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:342999
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:950969, activity:960092, activity:960093, activity:960094, activity:960095, activity:960096, activity:960097