113138

Source:http://linkedlifedata.com/resource/chembl/compound/113138

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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:113138_Etravirine_INN, synonym:113138_Etravirine_USAN, synonym:113138_Intelence_TRADE_NAME, synonym:113138_TMC-125_RESEARCH_CODE
chemicalCompound:standardIn...	InChI=1S/C20H15BrN6O/c1-11-7-14(10-23)8-12(2)17(11)28-19-16(21)18(24)26-20(27-19)25-15-5-3-13(9-22)4-6-15/h3-8H,1-2H3,(H3,24,25,26,27)
chemicalCompound:standardIn...	PYGWGZALEOIKDF-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1cc(cc(C)c1Oc2nc(Nc3ccc(cc3)C#N)nc(N)c2Br)C#N
chemicalCompound:molecularF...	C20H15BrN6O
chemicalCompound:moleculeId	113138
chemicalCompound:mwFreebase	435.277
chemicalCompound:alogp	4.855
chemicalCompound:hba	7
chemicalCompound:hbd	2
chemicalCompound:psa	120.63
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.876
chemicalCompound:acdLogD	3.876
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	435.277
chemicalCompound:acdMostBpk...	1.227
chemicalCompound:chemblId	CHEMBL308954
chemicalCompound:maxPhase	4
chemicalCompound:therapeuti...	1
chemicalCompound:dosedIngre...	Yes
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:213138
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	Yes
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	ETRAVIRINE
chemicalCompound:firstAppro...	2008
chemicalCompound:activity	activity:971935, activity:971936, activity:971937, activity:971938, activity:971939, activity:971940, activity:971941, activity:1213165, activity:1213166, activity:1213167, activity:1213168, activity:1213169, activity:1213170, activity:1213171, activity:1405744, activity:1405745, activity:1405746, activity:1517645, activity:1517646, activity:1517647, activity:1517648, activity:1517649, activity:1517650, activity:1517651, activity:1677430, activity:1677435, activity:1678297, activity:1678347, activity:1807470, activity:1807511, activity:1995203, activity:2223943, activity:2223973, activity:2383512, activity:2383514, activity:2383516, activity:2383518, activity:2383520, activity:2383522, activity:2383524, activity:2383526, activity:2383528, activity:2383530, activity:2383532, activity:2383534, activity:2383536, activity:2383538, activity:2383540, activity:2383542, activity:2402903, activity:2402935, activity:2402966, activity:2402998, activity:2403031, activity:2502593, activity:2502594, activity:3006094, activity:3006095, activity:3006100, activity:3006130, activity:3006141