1989

Source:http://linkedlifedata.com/resource/chembl/compound/1989

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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/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2
chemicalCompound:standardIn...	SFLSHLFXELFNJZ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	NCC(O)c1ccc(O)c(O)c1
chemicalCompound:molecularF...	C8 H11 N O3
chemicalCompound:moleculeId	1989
chemicalCompound:mwFreebase	169.178
chemicalCompound:alogp	-0.059
chemicalCompound:hba	4
chemicalCompound:hbd	4
chemicalCompound:psa	86.71
chemicalCompound:rtb	2
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	169.178
chemicalCompound:acdMostBpk...	8.356
chemicalCompound:chemblId	CHEMBL432
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:101989
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:33569
chemicalCompound:activity	activity:5507836, activity:5570179, activity:5572950, activity:5706525, activity:5775028, activity:5778164, activity:5786986, activity:5975503, activity:5982967, activity:6448394, activity:6786921, activity:6887213, activity:7044631