18694

Source:http://linkedlifedata.com/resource/chembl/compound/18694

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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:18694_Celebrex_TRADE_NAME, synonym:18694_Celecoxib_BAN, synonym:18694_Celecoxib_FDA_ALTERNATIVE_NAME, synonym:18694_Celecoxib_INN, synonym:18694_Celecoxib_USAN, synonym:18694_SC-58635_RESEARCH_CODE
chemicalCompound:standardIn...	InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)
chemicalCompound:standardIn...	RZEKVGVHFLEQIL-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1ccc(cc1)c2cc(nn2c3ccc(cc3)S(=O)(=O)N)C(F)(F)F
chemicalCompound:molecularF...	C17H14F3N3O2S
chemicalCompound:moleculeId	18694
chemicalCompound:mwFreebase	381.372
chemicalCompound:alogp	4.428
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	86.35
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.676
chemicalCompound:acdLogP	2.593
chemicalCompound:acdLogD	2.59
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	381.372
chemicalCompound:chemblId	CHEMBL118
chemicalCompound:maxPhase	4
chemicalCompound:therapeuti...	1
chemicalCompound:dosedIngre...	Yes
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:118694
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	CELECOXIB
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:41423
chemicalCompound:firstAppro...	1998
chemicalCompound:activity	activity:36226, activity:36227, activity:36228, activity:36229, activity:36230, activity:36231, activity:36232, activity:86658, activity:86659, activity:86660, activity:86661, activity:86662, activity:133652, activity:133653, activity:133654, activity:133655, activity:133656, activity:133657, activity:133658, activity:133659, activity:133660, activity:133661, activity:133662, activity:139688, activity:194659, activity:194660, activity:194661, activity:194662, activity:194663, activity:194664, activity:201163, activity:201164, activity:201165, activity:201166, activity:226908, activity:226909, activity:226910, activity:226911, activity:226912, activity:267026, activity:267027, activity:267028, activity:267029, activity:267030, activity:267031, activity:267032, activity:267033, activity:267034, activity:267035, activity:267036, activity:267037, activity:311961, activity:311962, activity:311963, activity:311964, activity:311965, activity:311966, activity:311967