|
rdf:type |
|
|
chemicalCompound:parent |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C18H20N3O3S.Na/c1-13-16(19-9-8-17(13)24-11-5-10-23-2)12-25(22)18-20-14-6-3-4-7-15(14)21-18;/h3-4,6-9H,5,10-12H2,1-2H3;/q-1;+1
|
|
chemicalCompound:standardIn... |
KRCQSTCYZUOBHN-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
[Na+].COCCCOc1ccnc(CS(=O)c2nc3ccccc3[n-]2)c1C
|
|
chemicalCompound:molecularF... |
C18H20N3NaO3S
|
|
chemicalCompound:moleculeId |
674881
|
|
chemicalCompound:mwFreebase |
359.443
|
|
chemicalCompound:alogp |
2.366
|
|
chemicalCompound:hba |
5
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
96.31
|
|
chemicalCompound:rtb |
8
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
9.569
|
|
chemicalCompound:acdLogP |
2.096
|
|
chemicalCompound:acdLogD |
2.094
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
381.424
|
|
chemicalCompound:acdMostBpk... |
4.538
|
|
chemicalCompound:chemblId |
CHEMBL1200930
|
|
chemicalCompound:maxPhase |
4
|
|
chemicalCompound:therapeuti... |
1
|
|
chemicalCompound:dosedIngre... |
Yes
|
|
chemicalCompound:structureT... |
|
|
chemicalCompound:chebi |
|
|
chemicalCompound:moleculeTy... |
|
|
chemicalCompound:oral |
Yes
|
|
chemicalCompound:parenteral |
No
|
|
chemicalCompound:topical |
No
|
|
chemicalCompound:blackBoxWa... |
No
|
|
chemicalCompound:naturalPro... |
No
|
|
chemicalCompound:proDrug |
No
|
|
chemicalCompound:prefName |
RABEPRAZOLE SODIUM
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:firstAppro... |
1998
|
|
chemicalCompound:activity |
activity:3855254,
activity:4060305,
activity:4201505,
activity:4360526,
activity:4588665,
activity:4674607,
activity:4706725,
activity:4712210,
activity:4824443,
activity:4930109,
activity:5349529,
activity:5605845,
activity:5820843,
activity:5917745,
activity:6260129,
activity:6260132,
activity:6427574,
activity:6543368,
activity:6605333,
activity:6870239,
activity:6918920,
activity:7190157,
activity:7404200,
activity:9791596,
activity:10430932,
activity:10433686
|
