17479

Source:http://linkedlifedata.com/resource/chembl/compound/17479

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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/C20H17ClN2O4/c1-2-17(24)19-14-9-8-13(11-16(14)23(27)20(19)26)22-18(25)10-7-12-5-3-4-6-15(12)21/h3-11,26-27H,2H2,1H3,(H,22,25)/b10-7+
chemicalCompound:standardIn...	ZRSXGWBSYHWQPC-JXMROGBWSA-N
chemicalCompound:canonicalS...	CCC(=O)c1c(O)n(O)c2cc(NC(=O)\C=C\c3ccccc3Cl)ccc12
chemicalCompound:molecularF...	C20 H17 Cl N2 O4
chemicalCompound:moleculeId	17479
chemicalCompound:mwFreebase	384.813
chemicalCompound:alogp	2.345
chemicalCompound:hba	4
chemicalCompound:hbd	3
chemicalCompound:psa	91.56
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	8.309
chemicalCompound:acdLogP	3.761
chemicalCompound:acdLogD	3.673
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	384.813
chemicalCompound:acdMostBpk...	1.102
chemicalCompound:chemblId	CHEMBL278443
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:117479
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:199151, activity:199152, activity:199153