|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-9(13)5-10(14)4-8/h3-5,7,11-15H,6H2,1-2H3
|
|
chemicalCompound:standardIn... |
LMOINURANNBYCM-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
CC(C)NCC(O)c1cc(O)cc(O)c1
|
|
chemicalCompound:molecularF... |
C11H17NO3
|
|
chemicalCompound:moleculeId |
44647
|
|
chemicalCompound:mwFreebase |
211.258
|
|
chemicalCompound:alogp |
1.099
|
|
chemicalCompound:hba |
4
|
|
chemicalCompound:hbd |
4
|
|
chemicalCompound:psa |
72.72
|
|
chemicalCompound:rtb |
4
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
9.114
|
|
chemicalCompound:acdLogP |
0.285
|
|
chemicalCompound:acdLogD |
-1.615
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
211.258
|
|
chemicalCompound:acdMostBpk... |
9.3
|
|
chemicalCompound:chemblId |
CHEMBL776
|
|
chemicalCompound:maxPhase |
4
|
|
chemicalCompound:therapeuti... |
1
|
|
chemicalCompound:dosedIngre... |
No
|
|
chemicalCompound:structureT... |
|
|
chemicalCompound:chebi |
|
|
chemicalCompound:moleculeTy... |
|
|
chemicalCompound:oral |
Yes
|
|
chemicalCompound:parenteral |
No
|
|
chemicalCompound:topical |
Yes
|
|
chemicalCompound:blackBoxWa... |
No
|
|
chemicalCompound:naturalPro... |
No
|
|
chemicalCompound:proDrug |
No
|
|
chemicalCompound:prefName |
ORCIPRENALINE
|
|
chemicalCompound:activity |
activity:477233,
activity:477234,
activity:689240,
activity:689241,
activity:689242,
activity:689243,
activity:689244,
activity:722300,
activity:722301,
activity:722302,
activity:878309,
activity:878310,
activity:878311,
activity:878312,
activity:998077,
activity:2364274,
activity:2688155,
activity:3264716,
activity:4996322,
activity:5170283,
activity:5977835,
activity:6431655,
activity:6881228,
activity:7346022,
activity:7560795,
activity:7829158,
activity:7835387,
activity:7835388,
activity:7835389,
activity:7835390,
activity:7835391,
activity:7835392,
activity:7835393,
activity:7835394,
activity:7835395,
activity:7835396,
activity:7835397,
activity:7835398,
activity:7835399,
activity:7835400
|
