716337

Source:http://linkedlifedata.com/resource/chembl/compound/716337

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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:716337_AG-13736_RESEARCH_CODE, synonym:716337_Axitinib_USAN, synonym:716337_Inlyta_TRADE_NAME
chemicalCompound:standardIn...	InChI=1S/C22H18N4OS/c1-23-22(27)18-7-2-3-8-21(18)28-16-10-11-17-19(25-26-20(17)14-16)12-9-15-6-4-5-13-24-15/h2-14H,1H3,(H,23,27)(H,25,26)/b12-9+
chemicalCompound:standardIn...	RITAVMQDGBJQJZ-FMIVXFBMSA-N
chemicalCompound:canonicalS...	CNC(=O)c1ccccc1Sc2ccc3c(\C=C\c4ccccn4)n[nH]c3c2
chemicalCompound:molecularF...	C22H18N4OS
chemicalCompound:moleculeId	716337
chemicalCompound:mwFreebase	386.47
chemicalCompound:alogp	4.492
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	95.97
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.698
chemicalCompound:acdLogP	2.387
chemicalCompound:acdLogD	2.387
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	386.47
chemicalCompound:acdMostBpk...	4.296
chemicalCompound:chemblId	CHEMBL1289926
chemicalCompound:maxPhase	4
chemicalCompound:therapeuti...	1
chemicalCompound:dosedIngre...	Yes
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:816337
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	AXITINIB
chemicalCompound:firstAppro...	2012
chemicalCompound:activity	activity:3595752, activity:7587601, activity:7587602, activity:7587603, activity:7587604, activity:7587605, activity:7587606, activity:7587607, activity:7587608, activity:7587609, activity:7587610, activity:7587611, activity:7587612, activity:7587613, activity:7587614, activity:7587615, activity:7587616, activity:7587617, activity:7587618, activity:7587619, activity:7587620, activity:7587621, activity:7587622, activity:7587623, activity:7587624, activity:7587625, activity:7587626, activity:7587627, activity:7587628, activity:7587629, activity:7587630, activity:7587631, activity:7587632, activity:7587633, activity:7587634, activity:7587635, activity:7587636, activity:7587637, activity:7587638, activity:7587639, activity:7587640, activity:7587641, activity:7587642, activity:7587643, activity:7587644, activity:7587645, activity:7587646, activity:7587647, activity:7587648, activity:7587649, activity:7587650, activity:7587651, activity:7587652, activity:7587653, activity:7587654, activity:7587655, activity:7587656, activity:7587657, activity:7587658, activity:7587659, activity:7587660