218251

Source:http://linkedlifedata.com/resource/chembl/compound/218251

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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:218251_SCH-56580_RESEARCH_CODE
chemicalCompound:standardIn...	InChI=1S/C27H26ClN3O/c1-18-14-22-3-2-21-16-23(28)4-5-24(21)26(27(22)30-17-18)20-8-12-31(13-9-20)25(32)15-19-6-10-29-11-7-19/h4-7,10-11,14,16-17H,2-3,8-9,12-13,15H2,1H3
chemicalCompound:standardIn...	KJDFLBHKZQUEFX-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1cnc2C(=C3CCN(CC3)C(=O)Cc4ccncc4)c5ccc(Cl)cc5CCc2c1
chemicalCompound:molecularF...	C27H26ClN3O
chemicalCompound:moleculeId	218251
chemicalCompound:mwFreebase	443.968
chemicalCompound:alogp	5.043
chemicalCompound:hba	3
chemicalCompound:hbd	0
chemicalCompound:psa	46.09
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.467
chemicalCompound:acdLogD	3.462
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	443.968
chemicalCompound:acdMostBpk...	5.596
chemicalCompound:chemblId	CHEMBL334635
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:318251
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:47664
chemicalCompound:activity	activity:610971, activity:610972, activity:610973, activity:651861