92952

Source:http://linkedlifedata.com/resource/chembl/compound/92952

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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/C13H11NO/c15-11-5-12-13(6-8(13)7-14-12)10-4-2-1-3-9(10)11/h1-5,8,15H,6-7H2/t8?,13-/m1/s1
chemicalCompound:standardIn...	PSIWQWUXBOOKGW-AZMWARKLSA-N
chemicalCompound:canonicalS...	OC1=CC2=NCC3C[C@@]23c4ccccc14
chemicalCompound:molecularF...	C13 H11 N O
chemicalCompound:moleculeId	92952
chemicalCompound:mwFreebase	197.233
chemicalCompound:alogp	1.579
chemicalCompound:hba	2
chemicalCompound:hbd	1
chemicalCompound:psa	32.59
chemicalCompound:rtb	0
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	5.808
chemicalCompound:acdLogP	1.384
chemicalCompound:acdLogD	1.121
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	197.233
chemicalCompound:chemblId	CHEMBL61995
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:192952
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:558593