224

Source:http://linkedlifedata.com/resource/chembl/compound/224

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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:224_PD-117558_RESEARCH_CODE
chemicalCompound:standardIn...	InChI=1S/C20H23F2N3O3/c1-2-23-8-11-5-6-24(9-11)18-15(21)7-13-17(16(18)22)25(12-3-4-12)10-14(19(13)26)20(27)28/h7,10-12,23H,2-6,8-9H2,1H3,(H,27,28)
chemicalCompound:standardIn...	WDBGUJBLPRXPIX-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCNCC1CCN(C1)c2c(F)cc3C(=O)C(=CN(C4CC4)c3c2F)C(=O)O
chemicalCompound:molecularF...	C20 H23 F2 N3 O3
chemicalCompound:moleculeId	224
chemicalCompound:mwFreebase	391.412
chemicalCompound:alogp	-0.434
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	72.88
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	6.398
chemicalCompound:acdLogP	3.293
chemicalCompound:acdLogD	0.767
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	391.412
chemicalCompound:acdMostBpk...	10.449
chemicalCompound:chemblId	CHEMBL6210
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:100224
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	PD-117558
chemicalCompound:activity	activity:36298, activity:52949, activity:52950, activity:52951, activity:52952, activity:52953, activity:52954, activity:52955, activity:52956, activity:52957, activity:52958, activity:52959, activity:52960, activity:52961, activity:52962, activity:52963, activity:52964, activity:52965, activity:52966, activity:52967, activity:52968, activity:52969, activity:52970, activity:76462, activity:76463, activity:76464, activity:76465, activity:76466, activity:76467, activity:76468, activity:76469, activity:76470, activity:76471, activity:76472, activity:76473, activity:76474, activity:76475, activity:76476, activity:86841, activity:86842, activity:86843, activity:92836, activity:92837, activity:92838, activity:101863, activity:101864, activity:101865, activity:103771, activity:103772, activity:103773, activity:217381, activity:217382, activity:217383, activity:217384, activity:217385, activity:217386, activity:217387, activity:217388, activity:217389, activity:217390, activity:217391, activity:217392, activity:217393, activity:217394