488841

Source:http://linkedlifedata.com/resource/chembl/compound/488841

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/C18H24O3/c1-18-7-6-11-12(14(18)4-5-17(18)21)3-2-10-8-15(19)16(20)9-13(10)11/h8-9,11-12,14,17,19-21H,2-7H2,1H3/t11-,12+,14-,17-,18-/m0/s1
chemicalCompound:standardIn...	DILDHNKDVHLEQB-XSSYPUMDSA-N
chemicalCompound:canonicalS...	C[C@]12CC[C@H]3[C@@H](CCc4cc(O)c(O)cc34)[C@@H]1CC[C@@H]2O
chemicalCompound:molecularF...	C18H24O3
chemicalCompound:moleculeId	488841
chemicalCompound:mwFreebase	288.381
chemicalCompound:alogp	3.596
chemicalCompound:hba	3
chemicalCompound:hbd	3
chemicalCompound:psa	60.69
chemicalCompound:rtb	0
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	10.123
chemicalCompound:acdLogP	3.338
chemicalCompound:acdLogD	3.336
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	288.381
chemicalCompound:chemblId	CHEMBL467987
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:588841
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:28744
chemicalCompound:activity	activity:458475, activity:458476, activity:458477, activity:458478, activity:588480, activity:1605624, activity:2568315, activity:3636897, activity:3684728, activity:3724307, activity:3858702, activity:3908971, activity:3938822, activity:3946298, activity:4023665, activity:4079089, activity:4085163, activity:4278934, activity:4295996, activity:4371837, activity:4537422, activity:4550964, activity:4588091, activity:4589981, activity:4597244, activity:4725532, activity:4801450, activity:4814527, activity:4825311, activity:4890348, activity:4894185, activity:5350004, activity:5415930, activity:5503408, activity:5529022, activity:5657438, activity:5695648, activity:5708312, activity:5775736, activity:5790132, activity:5856909, activity:5861118, activity:5878803, activity:5971191, activity:6074796, activity:6426721, activity:6645042, activity:6761952, activity:6832063, activity:6883445, activity:7051210, activity:7070385, activity:7256329, activity:7427567, activity:7468334, activity:7565558, activity:7565559, activity:7565560, activity:7565561, activity:7565562, activity:7565563, activity:7565564, activity:7565565, activity:7565566, activity:7565567, activity:7565568