24605

Source:http://linkedlifedata.com/resource/chembl/compound/24605

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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/C19H21N3O/c1-14-20-10-12-22(14)13-11-21-19-15-6-2-4-8-17(15)23-18-9-5-3-7-16(18)19/h2-9,19,21H,10-13H2,1H3
chemicalCompound:standardIn...	ZFPAPQSTTRQGMN-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC1=NCCN1CCNC2c3ccccc3Oc4ccccc24
chemicalCompound:molecularF...	C19 H21 N3 O
chemicalCompound:moleculeId	24605
chemicalCompound:mwFreebase	307.39
chemicalCompound:alogp	2.187
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	36.86
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	4.394
chemicalCompound:acdLogD	2.365
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	307.39
chemicalCompound:acdMostBpk...	10.869
chemicalCompound:chemblId	CHEMBL281851
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:124605
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:591137, activity:591138