182814

Source:http://linkedlifedata.com/resource/chembl/compound/182814

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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:182814_Clebopride_INN
chemicalCompound:standardIn...	InChI=1S/C20H24ClN3O2/c1-26-19-12-18(22)17(21)11-16(19)20(25)23-15-7-9-24(10-8-15)13-14-5-3-2-4-6-14/h2-6,11-12,15H,7-10,13,22H2,1H3,(H,23,25)
chemicalCompound:standardIn...	BVPWJMCABCPUQY-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1cc(N)c(Cl)cc1C(=O)NC2CCN(Cc3ccccc3)CC2
chemicalCompound:molecularF...	C20H24ClN3O2
chemicalCompound:moleculeId	182814
chemicalCompound:mwFreebase	373.876
chemicalCompound:alogp	2.633
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	67.58
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.636
chemicalCompound:acdLogP	2.702
chemicalCompound:acdLogD	2.035
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	373.876
chemicalCompound:acdMostBpk...	7.943
chemicalCompound:chemblId	CHEMBL325109
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:282814
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	CLEBOPRIDE
chemicalCompound:activity	activity:147080, activity:147081, activity:147082, activity:147083, activity:147084, activity:147085, activity:147086, activity:411717, activity:411718, activity:411719, activity:411720, activity:775714, activity:775715, activity:775716, activity:811098, activity:811099, activity:811100, activity:811101, activity:811102, activity:926352, activity:926353, activity:961672, activity:961673, activity:961674, activity:1217377, activity:1217378, activity:1217379, activity:1466379, activity:2062615, activity:2062631, activity:2062639, activity:3316482, activity:4965680, activity:4990106, activity:5016894, activity:5034813, activity:5219008, activity:5993800, activity:6040932, activity:6044615, activity:6055794, activity:6062983, activity:6585560, activity:7151009