91783

Source:http://linkedlifedata.com/resource/chembl/compound/91783

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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:91783_Capsaicin_INN, synonym:91783_Qutenza_TRADE_NAME
chemicalCompound:standardIn...	InChI=1S/C18H27NO3/c1-14(2)8-6-4-5-7-9-18(21)19-13-15-10-11-16(20)17(12-15)22-3/h6,8,10-12,14,20H,4-5,7,9,13H2,1-3H3,(H,19,21)/b8-6+
chemicalCompound:standardIn...	YKPUWZUDDOIDPM-SOFGYWHQSA-N
chemicalCompound:canonicalS...	COc1cc(CNC(=O)CCCC\C=C\C(C)C)ccc1O
chemicalCompound:molecularF...	C18H27NO3
chemicalCompound:moleculeId	91783
chemicalCompound:mwFreebase	305.412
chemicalCompound:alogp	3.91
chemicalCompound:hba	3
chemicalCompound:hbd	2
chemicalCompound:psa	58.56
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.764
chemicalCompound:acdLogP	3.217
chemicalCompound:acdLogD	3.215
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	305.412
chemicalCompound:chemblId	CHEMBL294199
chemicalCompound:maxPhase	4
chemicalCompound:therapeuti...	1
chemicalCompound:dosedIngre...	Yes
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:191783
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	Yes
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	CAPSAICIN
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:3374
chemicalCompound:firstAppro...	2009
chemicalCompound:activity	activity:88485, activity:93421, activity:93422, activity:93423, activity:509493, activity:509494, activity:574251, activity:574252, activity:667104, activity:667105, activity:667106, activity:781382, activity:786104, activity:786105, activity:848468, activity:848469, activity:848470, activity:950964, activity:950965, activity:950966, activity:950967, activity:950968, activity:998805, activity:998806, activity:998807, activity:998808, activity:1085638, activity:1204432, activity:1204433, activity:1217134, activity:1217135, activity:1403221, activity:1951532, activity:2323396, activity:2370428, activity:2389109, activity:2389124, activity:2389139, activity:2528363, activity:2528411, activity:2528416, activity:2716952, activity:3074188, activity:3243509, activity:3243515, activity:3292346, activity:3292366, activity:3418252, activity:3597070, activity:3597072, activity:3634673, activity:3644170, activity:3691417, activity:3884009, activity:3961103, activity:4063376, activity:4155709, activity:4164710, activity:4169496, activity:4174375, activity:4189773, activity:4377137