140209

Source:http://linkedlifedata.com/resource/chembl/compound/140209

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/C11H9N3O3S/c15-11-10-9(4-5-18-10)12-13(11)7-2-1-3-8(6-7)14(16)17/h1-3,6,15H,4-5H2
chemicalCompound:standardIn...	QMTHROREMBHBGV-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Oc1c2SCCc2nn1c3cccc(c3)[N+](=O)[O-]
chemicalCompound:molecularF...	C11 H9 N3 O3 S
chemicalCompound:moleculeId	140209
chemicalCompound:mwFreebase	263.272
chemicalCompound:alogp	2.591
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	109.17
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	6.99
chemicalCompound:acdLogP	0.743
chemicalCompound:acdLogD	0.244
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	263.272
chemicalCompound:acdMostBpk...	2.129
chemicalCompound:chemblId	CHEMBL86526
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:240209
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:298531, activity:298532, activity:298533, activity:298534, activity:298535, activity:298536, activity:298537, activity:298538, activity:298539, activity:298540, activity:298541, activity:298542, activity:298543