346231

Source:http://linkedlifedata.com/resource/chembl/compound/346231

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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/C5H4ClNO3/c6-4-2(1-3(8)9)7-5(4)10/h1,4H,(H,7,10)(H,8,9)/b2-1-/t4-/m1/s1
chemicalCompound:standardIn...	POTYQECASXFBOI-HYLWAGPFSA-N
chemicalCompound:canonicalS...	OC(=O)\C=C\1/NC(=O)[C@@H]1Cl
chemicalCompound:molecularF...	C5 H4 Cl N O3
chemicalCompound:moleculeId	346231
chemicalCompound:mwFreebase	161.543
chemicalCompound:alogp	-0.345
chemicalCompound:hba	3
chemicalCompound:hbd	2
chemicalCompound:psa	66.4
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	2.439
chemicalCompound:acdLogP	0.561
chemicalCompound:acdLogD	-3.174
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	161.543
chemicalCompound:chemblId	CHEMBL382224
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:446231
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:1712960, activity:1712961, activity:1713016, activity:1713017, activity:1713072, activity:1713073, activity:1713128, activity:1713129, activity:1713186, activity:1713187, activity:1713242, activity:1713243, activity:1713295, activity:1713296