130968

Source:http://linkedlifedata.com/resource/chembl/compound/130968

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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:130968_MK-473_RESEARCH_CODE
chemicalCompound:standardIn...	InChI=1S/C17H18Cl2O4/c1-17(10-4-2-3-5-10)7-9-6-11(23-8-12(20)21)14(18)15(19)13(9)16(17)22/h6,10H,2-5,7-8H2,1H3,(H,20,21)
chemicalCompound:standardIn...	RNOJGTHBMJBOSP-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC1(Cc2cc(OCC(=O)O)c(Cl)c(Cl)c2C1=O)C3CCCC3
chemicalCompound:molecularF...	C17 H18 Cl2 O4
chemicalCompound:moleculeId	130968
chemicalCompound:mwFreebase	357.228
chemicalCompound:alogp	4.817
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	63.6
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	2.798
chemicalCompound:acdLogP	3.812
chemicalCompound:acdLogD	0.119
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	357.228
chemicalCompound:chemblId	CHEMBL79956
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:230968
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:activity	activity:400943, activity:400944, activity:400945, activity:400946, activity:400947, activity:400948, activity:400949, activity:400950, activity:400951, activity:400952, activity:400953, activity:400954, activity:400955, activity:400956, activity:400957, activity:400958, activity:400959, activity:400960, activity:400961, activity:400962, activity:400963, activity:400964, activity:400965, activity:400966, activity:400967, activity:400968, activity:422611, activity:422612, activity:422613, activity:422614, activity:422615, activity:422616, activity:422617, activity:422618, activity:422619, activity:422620, activity:422621, activity:422622, activity:422623, activity:422624, activity:422625, activity:422626, activity:422627, activity:422628, activity:428879, activity:428880, activity:428881, activity:428882, activity:428883, activity:428884, activity:428885, activity:428886, activity:428887, activity:428888, activity:428889, activity:428890, activity:428891, activity:428892, activity:428893, activity:680483, activity:680484, activity:680485, activity:716481, activity:716482, activity:716483, activity:716484