262778

Source:http://linkedlifedata.com/resource/chembl/compound/262778

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:5998
chemicalCompound:standardIn...	InChI=1S/C18H21NO3.2C4H6O6/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19;25-1(3(7)8)2(6)4(9)10/h3,6,11-12,17H,4-5,7-9H2,1-2H3;21-2,5-6H,(H,7,8)(H,9,10)/t11?,12-,17+,18+;;/m1../s1
chemicalCompound:standardIn...	RTUMCRVHKFDZPH-UXLDAHOMSA-N
chemicalCompound:canonicalS...	COc1ccc2C[C@H]3C4CCC(=O)[C@H]5Oc1c2[C@@]45CCN3C.OC(C(O)C(=O)O)C(=O)O.OC(C(O)C(=O)O)C(=O)O
chemicalCompound:molecularF...	C26H33NO15
chemicalCompound:moleculeId	262778
chemicalCompound:mwFreebase	299.364
chemicalCompound:alogp	1.941
chemicalCompound:hba	4
chemicalCompound:hbd	0
chemicalCompound:psa	38.76
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.567
chemicalCompound:acdLogD	1.422
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	599.538
chemicalCompound:acdMostBpk...	8.518
chemicalCompound:chemblId	CHEMBL155824
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:362778
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:196146