342951

Source:http://linkedlifedata.com/resource/chembl/compound/342951

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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/C15H18N2O2/c1-3-7-16-15(19)12-9-17-13-6-5-10(4-2)8-11(13)14(12)18/h5-6,8-9H,3-4,7H2,1-2H3,(H,16,19)(H,17,18)
chemicalCompound:standardIn...	YTLATZVRJZTHRQ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCCNC(=O)c1cnc2ccc(CC)cc2c1O
chemicalCompound:molecularF...	C15 H18 N2 O2
chemicalCompound:moleculeId	342951
chemicalCompound:mwFreebase	258.316
chemicalCompound:alogp	2.797
chemicalCompound:hba	3
chemicalCompound:hbd	2
chemicalCompound:psa	62.22
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	3.002
chemicalCompound:acdLogP	2.398
chemicalCompound:acdLogD	0
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	258.316
chemicalCompound:acdMostBpk...	9.783
chemicalCompound:chemblId	CHEMBL204566
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:442951
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:1701353