|
rdf:type |
|
|
chemicalCompound:parent |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/2C17H18N3O3S.Mg/c2*1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17;/h2*5-8H,9H2,1-4H3;/q2*-1;+2
|
|
chemicalCompound:standardIn... |
KWORUUGOSLYAGD-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
[Mg+2].COc1ccc2[n-]c(nc2c1)S(=O)Cc3ncc(C)c(OC)c3C.COc4ccc5[n-]c(nc5c4)S(=O)Cc6ncc(C)c(OC)c6C
|
|
chemicalCompound:molecularF... |
C34H36MgN6O6S2
|
|
chemicalCompound:moleculeId |
991212
|
|
chemicalCompound:mwFreebase |
345.416
|
|
chemicalCompound:alogp |
3.222
|
|
chemicalCompound:hba |
5
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
96.31
|
|
chemicalCompound:rtb |
5
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
6.577
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
713.121
|
|
chemicalCompound:acdMostBpk... |
3.081
|
|
chemicalCompound:chemblId |
CHEMBL1567328
|
|
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 |
OMEPRAZOLE MAGNESIUM
|
|
chemicalCompound:firstAppro... |
2003
|
|
chemicalCompound:activity |
activity:4388990,
activity:4425610,
activity:4557458,
activity:4612227,
activity:4682453,
activity:5361274,
activity:5368618,
activity:5632446,
activity:5756473,
activity:6434634,
activity:6447648,
activity:6476073,
activity:6601384,
activity:6710887,
activity:6814946,
activity:7120815
|
