553259

Source:http://linkedlifedata.com/resource/chembl/compound/553259

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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:410123
chemicalCompound:synonym	synonym:553259_SCH-420814_RESEARCH_CODE
chemicalCompound:standardIn...	InChI=1S/C25H29N9O3.ClH/c1-35-15-16-36-19-6-4-18(5-7-19)32-11-8-31(9-12-32)10-13-33-23-20(17-27-33)24-28-22(21-3-2-14-37-21)30-34(24)25(26)29-23;/h2-7,14,17H,8-13,15-16H2,1H3,(H2,26,29);1H
chemicalCompound:standardIn...	JBATXHVGRZMYGO-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.COCCOc1ccc(cc1)N2CCN(CCn3ncc4c3nc(N)n5nc(nc45)c6occc6)CC2
chemicalCompound:molecularF...	C25H30ClN9O3
chemicalCompound:moleculeId	553259
chemicalCompound:mwFreebase	503.556
chemicalCompound:alogp	2.456
chemicalCompound:hba	9
chemicalCompound:hbd	1
chemicalCompound:psa	125
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.743
chemicalCompound:acdLogD	2.671
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	540.017
chemicalCompound:acdMostBpk...	6.418
chemicalCompound:chemblId	CHEMBL540115
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:653259
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:2019643, activity:2019644, activity:2019645, activity:2019646, activity:2019647, activity:2019648, activity:2019649, activity:2019650