|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C18H23NO/c1-15-9-7-8-12-17(15)18(20-14-13-19(2)3)16-10-5-4-6-11-16/h4-12,18H,13-14H2,1-3H3
|
|
chemicalCompound:standardIn... |
QVYRGXJJSLMXQH-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
CN(C)CCOC(c1ccccc1)c2ccccc2C
|
|
chemicalCompound:molecularF... |
C18H23NO
|
|
chemicalCompound:moleculeId |
77779
|
|
chemicalCompound:mwFreebase |
269.381
|
|
chemicalCompound:alogp |
3.871
|
|
chemicalCompound:hba |
2
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
12.47
|
|
chemicalCompound:rtb |
6
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
3.327
|
|
chemicalCompound:acdLogD |
1.99
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
269.381
|
|
chemicalCompound:acdMostBpk... |
8.724
|
|
chemicalCompound:chemblId |
CHEMBL900
|
|
chemicalCompound:maxPhase |
4
|
|
chemicalCompound:therapeuti... |
1
|
|
chemicalCompound:dosedIngre... |
No
|
|
chemicalCompound:structureT... |
|
|
chemicalCompound:chebi |
|
|
chemicalCompound:moleculeTy... |
|
|
chemicalCompound:oral |
Yes
|
|
chemicalCompound:parenteral |
Yes
|
|
chemicalCompound:topical |
No
|
|
chemicalCompound:blackBoxWa... |
No
|
|
chemicalCompound:naturalPro... |
No
|
|
chemicalCompound:proDrug |
No
|
|
chemicalCompound:prefName |
ORPHENADRINE
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:activity |
activity:859230,
activity:1074450,
activity:2062722,
activity:2062782,
activity:2062796,
activity:2364162,
activity:2364346,
activity:2499724,
activity:3542521,
activity:3542526,
activity:3542531,
activity:3542536,
activity:3542541,
activity:3542546,
activity:3542551,
activity:3542555,
activity:3811049,
activity:5219030,
activity:5317677,
activity:5318628,
activity:5319579,
activity:7285721,
activity:7317450,
activity:7543176,
activity:7714584,
activity:7714585,
activity:7714586,
activity:7714587,
activity:7714588,
activity:7714589,
activity:7714590,
activity:7714591,
activity:7714592,
activity:7714593,
activity:7714594,
activity:7714595,
activity:7714596,
activity:7714597,
activity:7714598,
activity:7714599,
activity:7714600,
activity:7714601,
activity:7714602,
activity:7714603,
activity:7714604,
activity:7714605,
activity:7714606,
activity:7714607,
activity:7714608,
activity:7714609,
activity:7714610,
activity:7714611,
activity:7714612,
activity:7714613,
activity:7714614,
activity:7714615,
activity:7714616,
activity:7714617
|
