676478

Source:http://linkedlifedata.com/resource/chembl/compound/676478

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:41407
chemicalCompound:standardIn...	InChI=1S/C23H33N5O2.ClH/c29-21-19-17-5-3-6-18(8-7-17)20(19)22(30)28(21)12-2-1-11-26-13-15-27(16-14-26)23-24-9-4-10-25-23;/h4,9-10,17-20H,1-3,5-8,11-16H2;1H
chemicalCompound:standardIn...	DPQXIDFINZHDHS-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.O=C1C2C3CCCC(CC3)C2C(=O)N1CCCCN4CCN(CC4)c5ncccn5
chemicalCompound:molecularF...	C23H34ClN5O2
chemicalCompound:moleculeId	676478
chemicalCompound:mwFreebase	411.54
chemicalCompound:alogp	2
chemicalCompound:hba	6
chemicalCompound:hbd	0
chemicalCompound:psa	69.64
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.14
chemicalCompound:acdLogD	1.783
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	448.001
chemicalCompound:acdMostBpk...	7.72
chemicalCompound:chemblId	CHEMBL1202527
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:776478
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:1136995, activity:1136996, activity:1136997