|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C19H30O5/c1-14-15(12-10-8-6-4-5-7-9-11-13-20)17(22)19(24-3)18(23-2)16(14)21/h20H,4-13H2,1-3H3
|
|
chemicalCompound:standardIn... |
JGPMMRGNQUBGND-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
COC1=C(OC)C(=O)C(=C(C)C1=O)CCCCCCCCCCO
|
|
chemicalCompound:molecularF... |
C19H30O5
|
|
chemicalCompound:moleculeId |
418736
|
|
chemicalCompound:mwFreebase |
338.439
|
|
chemicalCompound:alogp |
3.836
|
|
chemicalCompound:hba |
5
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
72.83
|
|
chemicalCompound:rtb |
12
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
N
|
|
chemicalCompound:acdLogP |
3.912
|
|
chemicalCompound:acdLogD |
3.912
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
338.439
|
|
chemicalCompound:chemblId |
CHEMBL252556
|
|
chemicalCompound:maxPhase |
0
|
|
chemicalCompound:therapeuti... |
0
|
|
chemicalCompound:dosedIngre... |
No
|
|
chemicalCompound:structureT... |
|
|
chemicalCompound:chebi |
|
|
chemicalCompound:moleculeTy... |
|
|
chemicalCompound:oral |
No
|
|
chemicalCompound:parenteral |
No
|
|
chemicalCompound:topical |
No
|
|
chemicalCompound:blackBoxWa... |
No
|
|
chemicalCompound:naturalPro... |
No
|
|
chemicalCompound:proDrug |
No
|
|
chemicalCompound:prefName |
IDEBENONE
|
|
chemicalCompound:activity |
activity:2067495,
activity:2067515,
activity:3218606,
activity:3416072,
activity:3416076,
activity:3416080,
activity:3596784,
activity:3598676,
activity:3622088,
activity:3622385,
activity:3739721,
activity:3936604,
activity:3943391,
activity:4009960,
activity:4070807,
activity:4307787,
activity:4467356,
activity:4589147,
activity:4701334,
activity:4809604,
activity:5317463,
activity:5318414,
activity:5319365,
activity:5594111,
activity:5713706,
activity:5718218,
activity:5816586,
activity:6312001,
activity:6441790,
activity:6582411,
activity:7166358,
activity:7418477,
activity:7668900,
activity:7668901,
activity:7668902,
activity:7668903,
activity:7668904,
activity:7668905,
activity:7668906,
activity:7668907,
activity:7668908,
activity:7668909,
activity:7668910,
activity:7668911,
activity:7670930,
activity:7670931,
activity:7670932,
activity:7670933,
activity:7670934,
activity:7670935,
activity:7670936,
activity:7670937,
activity:7670938,
activity:7670939,
activity:7670940,
activity:7670941,
activity:7670942,
activity:7670943,
activity:7670944,
activity:7670945,
activity:7670946,
activity:7670947,
activity:7670948,
activity:7670949,
activity:7670950,
activity:7670951
|
