218747

Source:http://linkedlifedata.com/resource/chembl/compound/218747

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C26H26ClN3O/c27-22-10-11-23-21(18-22)9-8-20-7-4-12-28-25(20)26(23)30-15-13-29(14-16-30)24(31)17-19-5-2-1-3-6-19/h1-7,10-12,18,26H,8-9,13-17H2
chemicalCompound:standardIn...	FRWLIKCCPAPJPP-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Clc1ccc2C(N3CCN(CC3)C(=O)Cc4ccccc4)c5ncccc5CCc2c1
chemicalCompound:molecularF...	C26 H26 Cl N3 O
chemicalCompound:moleculeId	218747
chemicalCompound:mwFreebase	431.957
chemicalCompound:alogp	4.868
chemicalCompound:hba	3
chemicalCompound:hbd	0
chemicalCompound:psa	36.44
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.56
chemicalCompound:acdLogD	3.557
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	431.957
chemicalCompound:acdMostBpk...	5.006
chemicalCompound:chemblId	CHEMBL335871
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:318747
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:609641, activity:609642, activity:654064