730630

Source:http://linkedlifedata.com/resource/chembl/compound/730630

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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/C18H20N2O2/c21-17(13-15-5-2-1-3-6-15)20-11-8-18(22,9-12-20)16-7-4-10-19-14-16/h1-7,10,14,22H,8-9,11-13H2
chemicalCompound:standardIn...	APCCTDYWHOLQRR-UHFFFAOYSA-N
chemicalCompound:canonicalS...	OC1(CCN(CC1)C(=O)Cc2ccccc2)c3cccnc3
chemicalCompound:molecularF...	C18H20N2O2
chemicalCompound:moleculeId	730630
chemicalCompound:mwFreebase	296.364
chemicalCompound:alogp	1
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	53.43
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.163
chemicalCompound:acdLogP	1.451
chemicalCompound:acdLogD	1.449
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	296.364
chemicalCompound:acdMostBpk...	5.341
chemicalCompound:chemblId	CHEMBL1306746
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:830630
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:4578605, activity:6646110, activity:6771873, activity:7019129