1137706

Source:http://linkedlifedata.com/resource/chembl/compound/1137706

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:276734
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)/i20-1
chemicalCompound:standardIn...	MLDQJTXFUGDVEO-LRFGSCOBSA-N
chemicalCompound:canonicalS...	CNC(=O)c1cc(Oc2ccc(N[11C](=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1
chemicalCompound:molecularF...	C21H16ClF3N4O3
chemicalCompound:moleculeId	1137706
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	463.814
chemicalCompound:acdMostBpk...	2.656
chemicalCompound:chemblId	CHEMBL1760433
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1237706
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	[11C]-SORAFENIB
chemicalCompound:activity	activity:6158632, activity:6158633, activity:6158634, activity:6158635