1004018

Source:http://linkedlifedata.com/resource/chembl/compound/1004018

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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/C18H15NO4/c1-22-11-7-8-13(17(9-11)23-2)16(20)10-14-12-5-3-4-6-15(12)19-18(14)21/h3-10H,1-2H3,(H,19,21)/b14-10+
chemicalCompound:standardIn...	LNUNRFUIERJJGH-GXDHUFHOSA-N
chemicalCompound:canonicalS...	COc1ccc(C(=O)\C=C/2\C(=O)Nc3ccccc23)c(OC)c1
chemicalCompound:molecularF...	C18H15NO4
chemicalCompound:moleculeId	1004018
chemicalCompound:mwFreebase	309.316
chemicalCompound:alogp	2.584
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	64.63
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	11.879
chemicalCompound:acdLogP	2.412
chemicalCompound:acdLogD	2.412
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	309.316
chemicalCompound:chemblId	CHEMBL1580134
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1104018
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:3807914, activity:3814727, activity:4098610, activity:4240209, activity:4380157, activity:4426214, activity:4759679, activity:4935059, activity:5406808, activity:5505799, activity:5511769, activity:5536334, activity:5610216, activity:5828195, activity:6432503, activity:6701494, activity:6910953, activity:6969014, activity:7042939, activity:7239180, activity:7333318, activity:7387399, activity:7470372, activity:7560386, activity:7562891, activity:9791533, activity:9987499, activity:10263240, activity:10426869, activity:10433628