1115537

Source:http://linkedlifedata.com/resource/chembl/compound/1115537

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:1989
chemicalCompound:standardIn...	InChI=1S/C8H11NO3.ClH/c9-4-8(12)5-1-2-6(10)7(11)3-5;/h1-3,8,10-12H,4,9H2;1H
chemicalCompound:standardIn...	FQTFHMSZCSUVEU-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.NCC(O)c1ccc(O)c(O)c1
chemicalCompound:molecularF...	C8H12ClNO3
chemicalCompound:moleculeId	1115537
chemicalCompound:mwFreebase	169.178
chemicalCompound:alogp	-0.059
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	86.71
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.57
chemicalCompound:acdLogP	-1.26
chemicalCompound:acdLogD	-2.82
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	205.639
chemicalCompound:acdMostBpk...	8.356
chemicalCompound:chemblId	CHEMBL1734806
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1215537
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:5363920, activity:6457051, activity:6833838, activity:6893282, activity:7016046, activity:7078522, activity:7431365, activity:10435929