218381

Source:http://linkedlifedata.com/resource/chembl/compound/218381

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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:218381_SCH-44324_RESEARCH_CODE
chemicalCompound:standardIn...	InChI=1S/C26H24ClN3O/c27-22-7-8-23-21(16-22)6-5-20-4-2-12-29-26(20)25(23)19-9-13-30(14-10-19)24(31)15-18-3-1-11-28-17-18/h1-4,7-8,11-12,16-17H,5-6,9-10,13-15H2
chemicalCompound:standardIn...	IBAHDARYZDKLAE-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Clc1ccc2C(=C3CCN(CC3)C(=O)Cc4cccnc4)c5ncccc5CCc2c1
chemicalCompound:molecularF...	C26 H24 Cl N3 O
chemicalCompound:moleculeId	218381
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	3.216
chemicalCompound:acdLogD	3.214
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	429.941
chemicalCompound:acdMostBpk...	5.067
chemicalCompound:chemblId	CHEMBL335685
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:318381
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:618842, activity:618843, activity:618844, activity:650619