841885

Source:http://linkedlifedata.com/resource/chembl/compound/841885

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:1043149
chemicalCompound:standardIn...	InChI=1S/C25H27N3O2.ClH/c1-29-22-11-10-19(16-23(22)30-2)24-21(17-27-13-6-3-7-14-27)28-15-12-18-8-4-5-9-20(18)25(28)26-24;/h4-5,8-12,15-16H,3,6-7,13-14,17H2,1-2H3;1H
chemicalCompound:standardIn...	HREWVOOPVKNMLJ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.COc1ccc(cc1OC)c2nc3c4ccccc4ccn3c2CN5CCCCC5
chemicalCompound:molecularF...	C25H28ClN3O2
chemicalCompound:moleculeId	841885
chemicalCompound:mwFreebase	401.501
chemicalCompound:alogp	4.598
chemicalCompound:hba	4
chemicalCompound:hbd	0
chemicalCompound:psa	39
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	4.488
chemicalCompound:acdLogD	3.246
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	437.962
chemicalCompound:acdMostBpk...	8.37
chemicalCompound:chemblId	CHEMBL1418001
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:941885
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:3732249, activity:4535587, activity:4627387, activity:4783522, activity:4946972, activity:5381399, activity:5781262, activity:5838887, activity:6497026, activity:7004396, activity:7024812, activity:7102527, activity:7306783, activity:7550404