276734

Source:http://linkedlifedata.com/resource/chembl/compound/276734

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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:276734_BAY-43-9006_RESEARCH_CODE, synonym:276734_Nexavar_TRADE_NAME, synonym:276734_Sorafenib_FDA_ALTERNATIVE_NAME, synonym:276734_Sorafenib_INN
chemicalCompound:standardIn...	InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)
chemicalCompound:standardIn...	MLDQJTXFUGDVEO-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1
chemicalCompound:molecularF...	C21H16ClF3N4O3
chemicalCompound:moleculeId	276734
chemicalCompound:mwFreebase	464.825
chemicalCompound:alogp	4.175
chemicalCompound:hba	4
chemicalCompound:hbd	3
chemicalCompound:psa	92.35
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.892
chemicalCompound:acdLogP	4.818
chemicalCompound:acdLogD	4.818
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	464.825
chemicalCompound:acdMostBpk...	2.656
chemicalCompound:chemblId	CHEMBL1336
chemicalCompound:maxPhase	4
chemicalCompound:therapeuti...	1
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:376734
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	SORAFENIB
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:47228
chemicalCompound:firstAppro...	2005
chemicalCompound:activity	activity:799367, activity:1442151, activity:1442152, activity:1442153, activity:1650006, activity:1650015, activity:1650024, activity:1650033, activity:1650042, activity:1650051, activity:1650060, activity:1650069, activity:1650078, activity:1650087, activity:1650096, activity:1650105, activity:1650114, activity:1650123, activity:1650132, activity:1650141, activity:1650150, activity:1650159, activity:1650168, activity:1650177, activity:1650186, activity:1650195, activity:1650204, activity:1650213, activity:1650222, activity:1650231, activity:1650240, activity:1650249, activity:1650258, activity:1650267, activity:1650276, activity:1650285, activity:1650294, activity:1650303, activity:1650312, activity:1650321, activity:1650330, activity:1650339, activity:1650348, activity:1650357, activity:1650366, activity:1650375, activity:1650384, activity:1650393, activity:1650402, activity:1650411, activity:1650420, activity:1650429, activity:1650438, activity:1650447, activity:1650456, activity:1650465, activity:1650474, activity:1650483, activity:1650492