126495

Source:http://linkedlifedata.com/resource/chembl/compound/126495

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:synonym	synonym:126495_SCH-351125_RESEARCH_CODE
chemicalCompound:standardIn...	InChI=1S/C28H37BrN4O3/c1-5-36-30-26(22-6-8-24(29)9-7-22)23-11-15-32(16-12-23)28(4)13-18-31(19-14-28)27(34)25-20(2)10-17-33(35)21(25)3/h6-10,17,23H,5,11-16,18-19H2,1-4H3/b30-26+
chemicalCompound:standardIn...	ZGDKVKUWTCGYOA-URGPHPNLSA-N
chemicalCompound:canonicalS...	CCO\N=C(\C1CCN(CC1)C2(C)CCN(CC2)C(=O)c3c(C)cc[n+]([O-])c3C)/c4ccc(Br)cc4
chemicalCompound:molecularF...	C28H37BrN4O3
chemicalCompound:moleculeId	126495
chemicalCompound:mwFreebase	557.522
chemicalCompound:alogp	3.413
chemicalCompound:hba	5
chemicalCompound:hbd	0
chemicalCompound:psa	70.59
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	2.899
chemicalCompound:acdLogD	2.22
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	557.522
chemicalCompound:acdMostBpk...	8.005
chemicalCompound:chemblId	CHEMBL78535
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:226495
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:206150, activity:206151, activity:206152, activity:342482, activity:342483, activity:342484, activity:342485, activity:342486, activity:342487, activity:342488, activity:342489, activity:342490, activity:342491, activity:342492, activity:342493, activity:342494, activity:342495, activity:342496, activity:342497, activity:342498, activity:371544, activity:371545, activity:371546, activity:371547, activity:371548, activity:371549, activity:371550, activity:371551, activity:371552, activity:371553, activity:371554, activity:371555, activity:371556, activity:371557, activity:371558, activity:371559, activity:371560, activity:371561, activity:554129, activity:554130, activity:554131, activity:554132, activity:554133, activity:622048, activity:1416688, activity:2601822, activity:5198687, activity:5198692, activity:6303618, activity:6304743, activity:6304751