88246

Source:http://linkedlifedata.com/resource/chembl/compound/88246

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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:88246_Ecopipam_OTHER, synonym:88246_SCH-39166_RESEARCH_CODE
chemicalCompound:standardIn...	InChI=1S/C19H20ClNO/c1-21-9-8-13-10-16(20)18(22)11-15(13)19-14-5-3-2-4-12(14)6-7-17(19)21/h2-5,10-11,17,19,22H,6-9H2,1H3/t17-,19+/m0/s1
chemicalCompound:standardIn...	DMJWENQHWZZWDF-PKOBYXMFSA-N
chemicalCompound:canonicalS...	CN1CCc2cc(Cl)c(O)cc2[C@@H]3[C@@H]1CCc4ccccc34
chemicalCompound:molecularF...	C19H20ClNO
chemicalCompound:moleculeId	88246
chemicalCompound:mwFreebase	313.821
chemicalCompound:alogp	4.632
chemicalCompound:hba	2
chemicalCompound:hbd	1
chemicalCompound:psa	23.47
chemicalCompound:rtb	0
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	8.732
chemicalCompound:acdLogP	4.026
chemicalCompound:acdLogD	3.155
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	313.821
chemicalCompound:acdMostBpk...	8.154
chemicalCompound:chemblId	CHEMBL298406
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:188246
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:64028, activity:187671, activity:187672, activity:1047737, activity:1406288, activity:1406289, activity:1406290, activity:1406291, activity:1406292, activity:1406293, activity:1406294, activity:1406295, activity:1406296, activity:1406297, activity:3092562, activity:3092582, activity:3092597, activity:3092616, activity:3092630, activity:3092631, activity:3092632, activity:3092633, activity:3092634, activity:3092635, activity:3092636, activity:3095592, activity:3095618, activity:3095636, activity:3095662, activity:3095680, activity:3095684, activity:3095688, activity:7565031