|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C15H25NO3/c1-12(2)16-10-14(17)11-19-15-6-4-13(5-7-15)8-9-18-3/h4-7,12,14,16-17H,8-11H2,1-3H3
|
|
chemicalCompound:standardIn... |
IUBSYMUCCVWXPE-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
COCCc1ccc(OCC(O)CNC(C)C)cc1
|
|
chemicalCompound:molecularF... |
C15H25NO3
|
|
chemicalCompound:moleculeId |
789
|
|
chemicalCompound:mwFreebase |
267.364
|
|
chemicalCompound:alogp |
1.757
|
|
chemicalCompound:hba |
4
|
|
chemicalCompound:hbd |
2
|
|
chemicalCompound:psa |
50.72
|
|
chemicalCompound:rtb |
9
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
13.891
|
|
chemicalCompound:acdLogP |
1.632
|
|
chemicalCompound:acdLogD |
-0.47
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
267.364
|
|
chemicalCompound:acdMostBpk... |
9.434
|
|
chemicalCompound:chemblId |
CHEMBL13
|
|
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 |
METOPROLOL
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:firstAppro... |
1989
|
|
chemicalCompound:activity |
activity:42758,
activity:42759,
activity:56600,
activity:56601,
activity:56602,
activity:56603,
activity:67441,
activity:75782,
activity:75783,
activity:75784,
activity:75785,
activity:122831,
activity:122832,
activity:122833,
activity:122834,
activity:122835,
activity:143461,
activity:143462,
activity:143463,
activity:143464,
activity:143465,
activity:143466,
activity:145817,
activity:145818,
activity:145819,
activity:233897,
activity:233898,
activity:342368,
activity:349638,
activity:349639,
activity:349640,
activity:461159,
activity:461160,
activity:461161,
activity:477045,
activity:477046,
activity:477047,
activity:534318,
activity:534319,
activity:534320,
activity:581090,
activity:581091,
activity:581092,
activity:683138,
activity:683139,
activity:683140,
activity:753928,
activity:753929,
activity:753930,
activity:753931,
activity:753932,
activity:753933,
activity:753934,
activity:821969,
activity:821970
|
