176355

Source:http://linkedlifedata.com/resource/chembl/compound/176355

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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/C27H35BrN4O2/c1-19-5-4-6-23(29)24(19)26(33)31-17-13-27(2,14-18-31)32-15-11-21(12-16-32)25(30-34-3)20-7-9-22(28)10-8-20/h4-10,21H,11-18,29H2,1-3H3/b30-25+
chemicalCompound:standardIn...	SIGNOFGQWWUQJS-QCWLDUFUSA-N
chemicalCompound:canonicalS...	CO\N=C(\C1CCN(CC1)C2(C)CCN(CC2)C(=O)c3c(C)cccc3N)/c4ccc(Br)cc4
chemicalCompound:molecularF...	C27 H35 Br N4 O2
chemicalCompound:moleculeId	176355
chemicalCompound:mwFreebase	527.496
chemicalCompound:alogp	4.03
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	71.16
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	4.983
chemicalCompound:acdLogD	4.331
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	527.496
chemicalCompound:acdMostBpk...	8.13
chemicalCompound:chemblId	CHEMBL109158
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:276355
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:318341, activity:318342, activity:318343, activity:361444, activity:361445, activity:361446