244198

Source:http://linkedlifedata.com/resource/chembl/compound/244198

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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/C24H29N7/c1-2-10-25-21(5-1)16-26-20-8-12-30(13-9-20)11-3-4-19-15-27-24-7-6-22(14-23(19)24)31-17-28-29-18-31/h1-2,5-7,10,14-15,17-18,20,26-27H,3-4,8-9,11-13,16H2
chemicalCompound:standardIn...	ONCXHNYCDVZACJ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	C(CN1CCC(CC1)NCc2ccccn2)Cc3c[nH]c4ccc(cc34)n5cnnc5
chemicalCompound:molecularF...	C24 H29 N7
chemicalCompound:moleculeId	244198
chemicalCompound:mwFreebase	415.534
chemicalCompound:alogp	2.343
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	74.66
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	1.656
chemicalCompound:acdLogD	0
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	415.534
chemicalCompound:acdMostBpk...	9.049
chemicalCompound:chemblId	CHEMBL145997
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:344198
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:1214745, activity:1214746, activity:1214747