724105

Source:http://linkedlifedata.com/resource/chembl/compound/724105

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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/C17H17NO5/c1-10-13(11(2)23-18-10)9-21-17(19)16-14(8-20-3)12-6-4-5-7-15(12)22-16/h4-7H,8-9H2,1-3H3
chemicalCompound:standardIn...	NGZWUSJQQYSXPC-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COCc1c(oc2ccccc12)C(=O)OCc3c(C)onc3C
chemicalCompound:molecularF...	C17H17NO5
chemicalCompound:moleculeId	724105
chemicalCompound:mwFreebase	315.321
chemicalCompound:alogp	2.55
chemicalCompound:hba	4
chemicalCompound:hbd	0
chemicalCompound:psa	74.7
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.395
chemicalCompound:acdLogD	3.395
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	315.321
chemicalCompound:chemblId	CHEMBL1300221
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:824105
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:3710498, activity:4010782, activity:5602532, activity:6541896, activity:6619669, activity:6756845, activity:7432296