140033

Source:http://linkedlifedata.com/resource/chembl/compound/140033

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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/C11H9ClN2O2/c12-7-1-3-8(4-2-7)14-11(15)9-5-16-6-10(9)13-14/h1-4,15H,5-6H2
chemicalCompound:standardIn...	USAPWTXREZBRNI-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Oc1c2COCc2nn1c3ccc(Cl)cc3
chemicalCompound:molecularF...	C11 H9 Cl N2 O2
chemicalCompound:moleculeId	140033
chemicalCompound:mwFreebase	236.654
chemicalCompound:alogp	2.376
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	47.28
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	7.894
chemicalCompound:acdLogP	0.019
chemicalCompound:acdLogD	-0.104
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	236.654
chemicalCompound:acdMostBpk...	2.202
chemicalCompound:chemblId	CHEMBL83458
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:240033
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:303471, activity:303472