185766

Source:http://linkedlifedata.com/resource/chembl/compound/185766

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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/C28H36BrN3O2/c1-20-6-5-7-21(2)25(20)27(33)31-18-14-28(3,15-19-31)32-16-12-23(13-17-32)26(30-34-4)22-8-10-24(29)11-9-22/h5-11,23H,12-19H2,1-4H3/b30-26-
chemicalCompound:standardIn...	VCJCJIKWNXQAAJ-BXVZCJGGSA-N
chemicalCompound:canonicalS...	CO\N=C(/C1CCN(CC1)C2(C)CCN(CC2)C(=O)c3c(C)cccc3C)\c4ccc(Br)cc4
chemicalCompound:molecularF...	C28 H36 Br N3 O2
chemicalCompound:moleculeId	185766
chemicalCompound:mwFreebase	526.508
chemicalCompound:alogp	5.263
chemicalCompound:hba	4
chemicalCompound:hbd	0
chemicalCompound:psa	45.14
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	5.99
chemicalCompound:acdLogD	5.162
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	526.508
chemicalCompound:acdMostBpk...	8.16
chemicalCompound:chemblId	CHEMBL112760
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:285766
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:361438, activity:361439, activity:361440, activity:361441, activity:361442, activity:361443, activity:595666, activity:595667