|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C12H16N2O2/c1-2-10(14-6-4-13-5-7-14)12-11(3-1)15-8-9-16-12/h1-3,13H,4-9H2
|
|
chemicalCompound:standardIn... |
WVLHGCRWEHCIOT-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
C1CN(CCN1)c2cccc3OCCOc23
|
|
chemicalCompound:molecularF... |
C12 H16 N2 O2
|
|
chemicalCompound:moleculeId |
35550
|
|
chemicalCompound:mwFreebase |
220.268
|
|
chemicalCompound:alogp |
1.199
|
|
chemicalCompound:hba |
4
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
33.73
|
|
chemicalCompound:rtb |
1
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
0.864
|
|
chemicalCompound:acdLogD |
-0.367
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
220.268
|
|
chemicalCompound:acdMostBpk... |
8.907
|
|
chemicalCompound:chemblId |
CHEMBL282614
|
|
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 |
ELTOPRAZINE
|
|
chemicalCompound:activity |
activity:49574,
activity:49575,
activity:49576,
activity:49577,
activity:49578,
activity:49579,
activity:49580,
activity:49581,
activity:173564,
activity:173565,
activity:173566,
activity:173567,
activity:173568,
activity:173569,
activity:377160,
activity:819208,
activity:819209,
activity:846245,
activity:998439,
activity:998440,
activity:998441,
activity:998442,
activity:998443,
activity:998444,
activity:998445,
activity:1238809,
activity:2150593,
activity:2150600
|
