432318

Source:http://linkedlifedata.com/resource/chembl/compound/432318

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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/C10H9NO3/c12-9(6-7-10(13)14)11-8-4-2-1-3-5-8/h1-7H,(H,11,12)(H,13,14)/b7-6-
chemicalCompound:standardIn...	WHZLCOICKHIPRL-SREVYHEPSA-N
chemicalCompound:canonicalS...	OC(=O)\C=C/C(=O)Nc1ccccc1
chemicalCompound:molecularF...	C10H9NO3
chemicalCompound:moleculeId	432318
chemicalCompound:mwFreebase	191.183
chemicalCompound:alogp	1.193
chemicalCompound:hba	3
chemicalCompound:hbd	2
chemicalCompound:psa	66.4
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	2.689
chemicalCompound:acdLogP	0
chemicalCompound:acdLogD	-3.738
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	191.183
chemicalCompound:acdMostBpk...	0.225
chemicalCompound:chemblId	CHEMBL259813
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:532318
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:2130567, activity:2130579, activity:2130584, activity:2130589, activity:2130594, activity:2130595, activity:2130596, activity:2130597, activity:2130598, activity:2130599, activity:2130600, activity:2130601, activity:2130602, activity:2130603, activity:3190736, activity:6186374, activity:6186443, activity:6187451, activity:6187520, activity:6187589, activity:6187658, activity:6188623, activity:6188692, activity:6188762, activity:6188832, activity:6189798, activity:6189867, activity:6189936, activity:6190005, activity:6190982, activity:6191051, activity:6191120, activity:6191189, activity:6191892, activity:6191962