427826

Source:http://linkedlifedata.com/resource/chembl/compound/427826

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C25H26N2O7/c1-4-31-25(30)16(3)34-20-7-5-6-19-18(20)10-11-27(24(19)29)15(2)23(28)26-17-8-9-21-22(14-17)33-13-12-32-21/h5-11,14-16H,4,12-13H2,1-3H3,(H,26,28)
chemicalCompound:standardIn...	RXMVGMOTHXYYLJ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCOC(=O)C(C)Oc1cccc2C(=O)N(C=Cc12)C(C)C(=O)Nc3ccc4OCCOc4c3
chemicalCompound:molecularF...	C25 H26 N2 O7
chemicalCompound:moleculeId	427826
chemicalCompound:mwFreebase	466.483
chemicalCompound:alogp	2.362
chemicalCompound:hba	7
chemicalCompound:hbd	1
chemicalCompound:psa	103.4
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	12.351
chemicalCompound:acdLogP	3.732
chemicalCompound:acdLogD	3.732
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	466.483
chemicalCompound:acdMostBpk...	1
chemicalCompound:chemblId	CHEMBL261862
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:527826
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:2162349, activity:2162359, activity:2162370