123125

Source:http://linkedlifedata.com/resource/chembl/compound/123125

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C22H19N3O6/c1-3-22(30)14-7-16-18-11(8-25(16)20(28)13(14)9-31-21(22)29)6-12-15(24-18)4-5-17(27)19(12)23-10(2)26/h4-7,27,30H,3,8-9H2,1-2H3,(H,23,26)/t22-/m0/s1
chemicalCompound:standardIn...	BGTVYLPIJYUNCW-QFIPXVFZSA-N
chemicalCompound:canonicalS...	CC[C@@]1(O)C(=O)OCC2=C1C=C3N(Cc4cc5c(NC(=O)C)c(O)ccc5nc34)C2=O
chemicalCompound:molecularF...	C22 H19 N3 O6
chemicalCompound:moleculeId	123125
chemicalCompound:mwFreebase	421.403
chemicalCompound:alogp	0.624
chemicalCompound:hba	7
chemicalCompound:hbd	3
chemicalCompound:psa	129.06
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	8.621
chemicalCompound:acdLogP	-0.681
chemicalCompound:acdLogD	-0.716
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	421.403
chemicalCompound:acdMostBpk...	4.58
chemicalCompound:chemblId	CHEMBL307206
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:223125
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:1267801, activity:1267802, activity:1267803, activity:1267804, activity:1267805