140208

Source:http://linkedlifedata.com/resource/chembl/compound/140208

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/C11H9ClN2OS/c12-7-2-1-3-8(6-7)14-11(15)10-9(13-14)4-5-16-10/h1-3,6,15H,4-5H2
chemicalCompound:standardIn...	YEZZCYIHKSMSGX-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Oc1c2SCCc2nn1c3cccc(Cl)c3
chemicalCompound:molecularF...	C11 H9 Cl N2 O S
chemicalCompound:moleculeId	140208
chemicalCompound:mwFreebase	252.72
chemicalCompound:alogp	3.362
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	63.35
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	7.269
chemicalCompound:acdLogP	1.839
chemicalCompound:acdLogD	1.49
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	252.72
chemicalCompound:acdMostBpk...	2.515
chemicalCompound:chemblId	CHEMBL86525
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:240208
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:295954, activity:295955, activity:295956, activity:295957, activity:295958, activity:295959, activity:295960, activity:295961, activity:295962, activity:295963, activity:295964, activity:295965, activity:295966