28112

Source:http://linkedlifedata.com/resource/chembl/compound/28112

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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:28112_Protriptyline_FDA_ALTERNATIVE_NAME, synonym:28112_Protriptyline_INN, synonym:28112_Vivactil_TRADE_NAME
chemicalCompound:standardIn...	InChI=1S/C19H21N/c1-20-14-6-11-19-17-9-4-2-7-15(17)12-13-16-8-3-5-10-18(16)19/h2-5,7-10,12-13,19-20H,6,11,14H2,1H3
chemicalCompound:standardIn...	BWPIARFWQZKAIA-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CNCCCC1c2ccccc2C=Cc3ccccc13
chemicalCompound:molecularF...	C19H21N
chemicalCompound:moleculeId	28112
chemicalCompound:mwFreebase	263.377
chemicalCompound:alogp	4.041
chemicalCompound:hba	1
chemicalCompound:hbd	1
chemicalCompound:psa	12.03
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	4.36
chemicalCompound:acdLogD	1.509
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	263.377
chemicalCompound:acdMostBpk...	10.611
chemicalCompound:chemblId	CHEMBL668
chemicalCompound:maxPhase	4
chemicalCompound:therapeuti...	1
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:128112
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	Yes
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	Yes
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	PROTRIPTYLINE
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:8597
chemicalCompound:activity	activity:217538, activity:356849, activity:356850, activity:374636, activity:374637, activity:374638, activity:880864, activity:880865, activity:880866, activity:880867, activity:1077932, activity:1198078, activity:1198079, activity:1198080, activity:1611137, activity:2060066, activity:2062681, activity:2381313, activity:2381339, activity:2573352, activity:3554433, activity:3651629, activity:3672614, activity:3690133, activity:3708500, activity:3716748, activity:3805008, activity:4585350, activity:4807447, activity:4809501, activity:4842272, activity:4857774, activity:4977699, activity:4978042, activity:4994269, activity:5006101, activity:5042932, activity:5074208, activity:5074565, activity:5165964, activity:5329109, activity:5409645, activity:5507848, activity:5570196, activity:5775054, activity:5857181, activity:5861327, activity:5994847, activity:5996317, activity:6006502, activity:6019799, activity:6040500, activity:6043645, activity:6048728, activity:6049413, activity:6056105, activity:6061971, activity:6317050, activity:6455566, activity:6701737, activity:7108158, activity:7347062