379120

Source:http://linkedlifedata.com/resource/chembl/compound/379120

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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/C20H24ClN3O/c21-17-8-10-18(11-9-17)22-20(25)7-4-12-23-13-15-24(16-14-23)19-5-2-1-3-6-19/h1-3,5-6,8-11H,4,7,12-16H2,(H,22,25)
chemicalCompound:standardIn...	OXPPQZQGXMOKCK-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Clc1ccc(NC(=O)CCCN2CCN(CC2)c3ccccc3)cc1
chemicalCompound:molecularF...	C20 H24 Cl N3 O
chemicalCompound:moleculeId	379120
chemicalCompound:mwFreebase	357.877
chemicalCompound:alogp	3.819
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	35.58
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.43
chemicalCompound:acdLogD	3.255
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	357.877
chemicalCompound:acdMostBpk...	7.53
chemicalCompound:chemblId	CHEMBL226189
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:479120
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:1872021, activity:1872059, activity:1872087