35776

Source:http://linkedlifedata.com/resource/chembl/compound/35776

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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/C21H31BrN2O7/c1-2-3-4-5-6-7-8-9-16(26)31-18-17(27)15(13-25)30-20(18)24-12-14(10-11-22)19(28)23-21(24)29/h10-12,15,17-18,20,25,27H,2-9,13H2,1H3,(H,23,28,29)/b11-10+
chemicalCompound:standardIn...	UJLLAVMKZANACG-ZHACJKMWSA-N
chemicalCompound:canonicalS...	CCCCCCCCCC(=O)OC1C(O)C(CO)OC1N2C=C(\C=C\Br)C(=O)NC2=O
chemicalCompound:molecularF...	C21 H31 Br N2 O7
chemicalCompound:moleculeId	35776
chemicalCompound:mwFreebase	503.384
chemicalCompound:alogp	2.439
chemicalCompound:hba	7
chemicalCompound:hbd	3
chemicalCompound:psa	125.4
chemicalCompound:rtb	13
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	8.368
chemicalCompound:acdLogP	5.354
chemicalCompound:acdLogD	5.306
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	503.384
chemicalCompound:chemblId	CHEMBL28291
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:135776
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:1070605, activity:1070606, activity:1070607, activity:1070608, activity:1070609