300354

Source:http://linkedlifedata.com/resource/chembl/compound/300354

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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/C23H19NO4/c1-28-22-14-16(11-13-21(22)26)10-12-20(25)18-8-5-9-19(15-18)24-23(27)17-6-3-2-4-7-17/h2-15,26H,1H3,(H,24,27)/b12-10+
chemicalCompound:standardIn...	AXBQCJAYDKFNEQ-ZRDIBKRKSA-N
chemicalCompound:canonicalS...	COc1cc(\C=C\C(=O)c2cccc(NC(=O)c3ccccc3)c2)ccc1O
chemicalCompound:molecularF...	C23 H19 N O4
chemicalCompound:moleculeId	300354
chemicalCompound:mwFreebase	373.401
chemicalCompound:alogp	4.228
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	75.63
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	9.69
chemicalCompound:acdLogP	3.508
chemicalCompound:acdLogD	3.506
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	373.401
chemicalCompound:chemblId	CHEMBL178627
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:400354
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:1422120, activity:1422121, activity:1422122, activity:1422123, activity:1422124, activity:1422125, activity:1422126, activity:2143261, activity:2143275, activity:2143297, activity:2143311