874231

Source:http://linkedlifedata.com/resource/chembl/compound/874231

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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/C21H19NO4/c1-26-21(25)17-9-5-6-10-19(17)22-16(12-14-20(23)24)11-13-18(22)15-7-3-2-4-8-15/h2-11,13H,12,14H2,1H3,(H,23,24)
chemicalCompound:standardIn...	CZVMJZSSGHFUMA-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COC(=O)c1ccccc1n2c(CCC(=O)O)ccc2c3ccccc3
chemicalCompound:molecularF...	C21H19NO4
chemicalCompound:moleculeId	874231
chemicalCompound:mwFreebase	349.38
chemicalCompound:alogp	4.362
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	68.53
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	4.642
chemicalCompound:acdLogP	3.196
chemicalCompound:acdLogD	0.479
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	349.38
chemicalCompound:chemblId	CHEMBL1450347
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:974231
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:4294651, activity:4305747, activity:4309558, activity:4356216, activity:5021259, activity:5027566, activity:6525468, activity:6635970, activity:6827712