|
rdf:type |
|
|
chemicalCompound:synonym |
synonym:419601_Antra_TRADE_NAME,
synonym:419601_H-168/68_RESEARCH_CODE,
synonym:419601_Losec_TRADE_NAME,
synonym:419601_Omeprazole_BAN,
synonym:419601_Omeprazole_FDA_ALTERNATIVE_NAME,
synonym:419601_Omeprazole_INN,
synonym:419601_Omeprazole_JAN,
synonym:419601_Omeprazole_TRADE_NAME,
synonym:419601_Omeprazole_USAN,
synonym:419601_Omeprazole_USP,
synonym:419601_Prilosec_TRADE_NAME
|
|
chemicalCompound:standardIn... |
InChI=1S/C17H19N3O3S/c1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17/h5-8H,9H2,1-4H3,(H,19,20)
|
|
chemicalCompound:standardIn... |
SUBDBMMJDZJVOS-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
COc1ccc2nc([nH]c2c1)[S+]([O-])Cc3ncc(C)c(OC)c3C
|
|
chemicalCompound:molecularF... |
C17H19N3O3S
|
|
chemicalCompound:moleculeId |
419601
|
|
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 |
345.416
|
|
chemicalCompound:acdMostBpk... |
3.081
|
|
chemicalCompound:chemblId |
CHEMBL1503
|
|
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
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:firstAppro... |
1988
|
|
chemicalCompound:activity |
activity:45737,
activity:109390,
activity:109391,
activity:109392,
activity:109393,
activity:109394,
activity:109395,
activity:218931,
activity:218932,
activity:342081,
activity:342082,
activity:342083,
activity:342084,
activity:342085,
activity:342086,
activity:342087,
activity:342088,
activity:342089,
activity:342090,
activity:342091,
activity:342092,
activity:342093,
activity:342094,
activity:342095,
activity:342096,
activity:342097,
activity:342098,
activity:342099,
activity:342100,
activity:342101,
activity:342102,
activity:356342,
activity:368939,
activity:368940,
activity:368941,
activity:458698,
activity:458699,
activity:458700,
activity:481868,
activity:545763,
activity:545764,
activity:545765,
activity:545766,
activity:545767,
activity:545768,
activity:545769,
activity:628550,
activity:628551,
activity:628552,
activity:628553,
activity:628554,
activity:628555,
activity:695794,
activity:695795
|
