55631

Source:http://linkedlifedata.com/resource/chembl/compound/55631

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:synonym	synonym:55631_SCH-44342_RESEARCH_CODE
chemicalCompound:standardIn...	InChI=1S/C26H24ClN3O/c27-22-5-6-23-21(17-22)4-3-20-2-1-11-29-26(20)25(23)19-9-14-30(15-10-19)24(31)16-18-7-12-28-13-8-18/h1-2,5-8,11-13,17H,3-4,9-10,14-16H2
chemicalCompound:standardIn...	KIFXOXSGYMUANJ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Clc1ccc2C(=C3CCN(CC3)C(=O)Cc4ccncc4)c5ncccc5CCc2c1
chemicalCompound:molecularF...	C26 H24 Cl N3 O
chemicalCompound:moleculeId	55631
chemicalCompound:mwFreebase	429.941
chemicalCompound:alogp	4.557
chemicalCompound:hba	3
chemicalCompound:hbd	0
chemicalCompound:psa	46.09
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.955
chemicalCompound:acdLogD	2.95
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	429.941
chemicalCompound:acdMostBpk...	5.596
chemicalCompound:chemblId	CHEMBL289404
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:155631
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:56922, activity:81720, activity:591019, activity:591020, activity:601120, activity:601121, activity:601122, activity:601123, activity:601124, activity:601125, activity:601126, activity:648196, activity:648197, activity:648198, activity:648220, activity:843356, activity:843357, activity:1150359