244737

Source:http://linkedlifedata.com/resource/chembl/compound/244737

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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:244737_Glafenine_INN
chemicalCompound:standardIn...	InChI=1S/C19H17ClN2O4/c20-12-5-6-14-17(7-8-21-18(14)9-12)22-16-4-2-1-3-15(16)19(25)26-11-13(24)10-23/h1-9,13,23-24H,10-11H2,(H,21,22)
chemicalCompound:standardIn...	GWOFUCIGLDBNKM-UHFFFAOYSA-N
chemicalCompound:canonicalS...	OCC(O)COC(=O)c1ccccc1Nc2ccnc3cc(Cl)ccc23
chemicalCompound:molecularF...	C19H17ClN2O4
chemicalCompound:moleculeId	244737
chemicalCompound:mwFreebase	372.802
chemicalCompound:alogp	3.036
chemicalCompound:hba	6
chemicalCompound:hbd	3
chemicalCompound:psa	91.68
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.072
chemicalCompound:acdLogP	3.015
chemicalCompound:acdLogD	3.007
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	372.802
chemicalCompound:acdMostBpk...	5.643
chemicalCompound:chemblId	CHEMBL146095
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:344737
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	GLAFENINE
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:31653
chemicalCompound:activity	activity:116678, activity:1252782, activity:1252783, activity:1252784, activity:1252785, activity:3218611, activity:3715059, activity:3737308, activity:3765342, activity:3997440, activity:4187970, activity:4545219, activity:4765098, activity:4949597, activity:5018518, activity:5316189, activity:5316638, activity:5317423, activity:5318374, activity:5319325, activity:7553740, activity:7828918, activity:7840114, activity:7840179