499

Source:http://linkedlifedata.com/resource/chembl/compound/499

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C17H16ClN3O2S/c1-21(2)15-7-3-6-14-13(15)5-4-8-16(14)24(22,23)20-17-10-9-12(18)11-19-17/h3-11H,1-2H3,(H,19,20)
chemicalCompound:standardIn...	RSBSFRHJBBDZEW-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CN(C)c1cccc2c(cccc12)S(=O)(=O)Nc3ccc(Cl)cn3
chemicalCompound:molecularF...	C17 H16 Cl N3 O2 S
chemicalCompound:moleculeId	499
chemicalCompound:mwFreebase	361.846
chemicalCompound:alogp	3.441
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	70.67
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	7.327
chemicalCompound:acdLogP	3.364
chemicalCompound:acdLogD	3.04
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	361.846
chemicalCompound:acdMostBpk...	3.428
chemicalCompound:chemblId	CHEMBL266315
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:100499
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:445835, activity:445836