185605

Source:http://linkedlifedata.com/resource/chembl/compound/185605

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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/C29H38BrN3O2/c1-5-35-31-27(23-9-11-25(30)12-10-23)24-13-17-33(18-14-24)29(4)15-19-32(20-16-29)28(34)26-21(2)7-6-8-22(26)3/h6-12,24H,5,13-20H2,1-4H3/b31-27-
chemicalCompound:standardIn...	KFNRGFZWGOCXDB-QVTSOHHYSA-N
chemicalCompound:canonicalS...	CCO\N=C(/C1CCN(CC1)C2(C)CCN(CC2)C(=O)c3c(C)cccc3C)\c4ccc(Br)cc4
chemicalCompound:molecularF...	C29 H38 Br N3 O2
chemicalCompound:moleculeId	185605
chemicalCompound:mwFreebase	540.535
chemicalCompound:alogp	5.612
chemicalCompound:hba	4
chemicalCompound:hbd	0
chemicalCompound:psa	45.14
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	6.499
chemicalCompound:acdLogD	5.638
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	540.535
chemicalCompound:acdMostBpk...	8.199
chemicalCompound:chemblId	CHEMBL331140
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:285605
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:348949, activity:348950, activity:364477, activity:364478, activity:364479, activity:599624, activity:599625