381693

Source:http://linkedlifedata.com/resource/chembl/compound/381693

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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:381693_Accurbron_TRADE_NAME, synonym:381693_Aerolate iii_TRADE_NAME, synonym:381693_Aerolate jr_TRADE_NAME, synonym:381693_Aerolate sr_TRADE_NAME, synonym:381693_Aerolate_TRADE_NAME, synonym:381693_Aquaphyllin_TRADE_NAME, synonym:381693_Bronkodyl_TRADE_NAME, synonym:381693_Dimethylxanthine_OTHER, synonym:381693_Duraphyl_TRADE_NAME, synonym:381693_Elixicon_TRADE_NAME, synonym:381693_Elixomin_TRADE_NAME, synonym:381693_Elixophyllin sr_TRADE_NAME, synonym:381693_Elixophyllin_TRADE_NAME, synonym:381693_Labid_TRADE_NAME, synonym:381693_Lanophyllin_TRADE_NAME, synonym:381693_Quibron-t/sr_TRADE_NAME, synonym:381693_Quibron-t_TRADE_NAME, synonym:381693_Quibron_TRADE_NAME, synonym:381693_Respbid_TRADE_NAME, synonym:381693_Slo-bid_TRADE_NAME, synonym:381693_Slo-phyllin_TRADE_NAME, synonym:381693_Somophyllin-crt_TRADE_NAME, synonym:381693_Somophyllin-t_TRADE_NAME, synonym:381693_Sustaire_TRADE_NAME, synonym:381693_T-phyl_TRADE_NAME, synonym:381693_Theo-24_TRADE_NAME, synonym:381693_Theo-Dur_TRADE_NAME, synonym:381693_Theobid jr._TRADE_NAME, synonym:381693_Theobid_TRADE_NAME, synonym:381693_Theochron_TRADE_NAME, synonym:381693_Theocin_TRADE_NAME, synonym:381693_Theoclear l.a.-130_TRADE_NAME, synonym:381693_Theoclear l.a.-260_TRADE_NAME, synonym:381693_Theoclear-100_TRADE_NAME, synonym:381693_Theoclear-200_TRADE_NAME, synonym:381693_Theoclear-80_TRADE_NAME, synonym:381693_Theolair-sr_TRADE_NAME, synonym:381693_Theolair_TRADE_NAME, synonym:381693_Theolixir_TRADE_NAME, synonym:381693_Theophyl-225_TRADE_NAME, synonym:381693_Theophyl-sr_TRADE_NAME, synonym:381693_Theophyl_TRADE_NAME, synonym:381693_Theophylline-sr_TRADE_NAME, synonym:381693_Theophylline_BAN, synonym:381693_Theophylline_FDA_ALTERNATIVE_NAME, synonym:381693_Theophylline_JAN, synonym:381693_Theophylline_TRADE_NAME, synonym:381693_Theophylline_USAN, synonym:381693_Theophylline_USP, synonym:381693_Theovent_TRADE_NAME, synonym:381693_Uni-dur_TRADE_NAME, synonym:381693_Uniphyl_TRADE_NAME
chemicalCompound:standardIn...	InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)
chemicalCompound:standardIn...	ZFXYFBGIUFBOJW-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CN1C(=O)N(C)c2nc[nH]c2C1=O
chemicalCompound:molecularF...	C7H8N4O2
chemicalCompound:moleculeId	381693
chemicalCompound:mwFreebase	180.164
chemicalCompound:alogp	-0.306
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	69.3
chemicalCompound:rtb	0
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	8.6
chemicalCompound:acdLogP	-0.021
chemicalCompound:acdLogD	-0.047
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	180.164
chemicalCompound:acdMostBpk...	1.841
chemicalCompound:chemblId	CHEMBL190
chemicalCompound:maxPhase	4
chemicalCompound:therapeuti...	1
chemicalCompound:dosedIngre...	Yes
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:481693
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	Yes
chemicalCompound:parenteral	Yes
chemicalCompound:topical	Yes
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	Yes
chemicalCompound:proDrug	No
chemicalCompound:prefName	THEOPHYLLINE
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:28177
chemicalCompound:activity	activity:35594, activity:35595, activity:35596, activity:35597, activity:35598, activity:35599, activity:35600, activity:35601, activity:35602, activity:35603, activity:35604, activity:35605

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