884684

Source:http://linkedlifedata.com/resource/chembl/compound/884684

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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/C22H30N2O2/c1-16(2)13-18-6-8-19(9-7-18)14-24-11-4-5-20(15-24)23-22(25)21-10-12-26-17(21)3/h6-10,12,16,20H,4-5,11,13-15H2,1-3H3,(H,23,25)
chemicalCompound:standardIn...	XEIDUXIHXQRCMW-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(C)Cc1ccc(CN2CCCC(C2)NC(=O)c3ccoc3C)cc1
chemicalCompound:molecularF...	C22H30N2O2
chemicalCompound:moleculeId	884684
chemicalCompound:mwFreebase	354.486
chemicalCompound:alogp	4.149
chemicalCompound:hba	2
chemicalCompound:hbd	1
chemicalCompound:psa	45.48
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	4.264
chemicalCompound:acdLogD	2.751
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	354.486
chemicalCompound:acdMostBpk...	8.703
chemicalCompound:chemblId	CHEMBL1460800
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:984684
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:4106675, activity:4225777, activity:4305982, activity:4399740, activity:4461633, activity:4778249, activity:5405563, activity:6515874, activity:6994221, activity:7277827, activity:7557051, activity:7559529