581757

Source:http://linkedlifedata.com/resource/chembl/compound/581757

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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/C18H23NO5/c1-10-9-13-14(12(10)5-4-8-24-16(21)19-23)11(2)18(6-7-18)17(3,22)15(13)20/h9,22-23H,4-8H2,1-3H3,(H,19,21)/t17-/m0/s1
chemicalCompound:standardIn...	ULLYBHLBKVKXAI-KRWDZBQOSA-N
chemicalCompound:canonicalS...	CC1=C(CCCOC(=O)NO)C2=C(C)C3(CC3)[C@@](C)(O)C(=O)C2=C1
chemicalCompound:molecularF...	C18H23NO5
chemicalCompound:moleculeId	581757
chemicalCompound:mwFreebase	333.379
chemicalCompound:alogp	2.333
chemicalCompound:hba	5
chemicalCompound:hbd	3
chemicalCompound:psa	95.86
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.237
chemicalCompound:acdLogP	1.772
chemicalCompound:acdLogD	1.766
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	333.379
chemicalCompound:chemblId	CHEMBL578213
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:681757
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:2988540, activity:2988551, activity:2988567