|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3/t14-/m1/s1
|
|
chemicalCompound:standardIn... |
AQHHHDLHHXJYJD-CQSZACIVSA-N
|
|
chemicalCompound:canonicalS... |
CC(C)NC[C@@H](O)COc1cccc2ccccc12
|
|
chemicalCompound:molecularF... |
C16H21NO2
|
|
chemicalCompound:moleculeId |
10099
|
|
chemicalCompound:mwFreebase |
259.343
|
|
chemicalCompound:alogp |
2.54
|
|
chemicalCompound:hba |
3
|
|
chemicalCompound:hbd |
2
|
|
chemicalCompound:psa |
41.48
|
|
chemicalCompound:rtb |
6
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
13.84
|
|
chemicalCompound:acdLogP |
2.9
|
|
chemicalCompound:acdLogD |
0.785
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
259.343
|
|
chemicalCompound:acdMostBpk... |
9.5
|
|
chemicalCompound:chemblId |
CHEMBL275742
|
|
chemicalCompound:maxPhase |
0
|
|
chemicalCompound:therapeuti... |
0
|
|
chemicalCompound:dosedIngre... |
No
|
|
chemicalCompound:structureT... |
|
|
chemicalCompound:chebi |
|
|
chemicalCompound:moleculeTy... |
|
|
chemicalCompound:oral |
No
|
|
chemicalCompound:parenteral |
No
|
|
chemicalCompound:topical |
No
|
|
chemicalCompound:blackBoxWa... |
No
|
|
chemicalCompound:naturalPro... |
No
|
|
chemicalCompound:proDrug |
No
|
|
chemicalCompound:prefName |
(R)-PROPRANOLOL
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:activity |
activity:78672,
activity:78673,
activity:78674,
activity:133060,
activity:139876,
activity:139877,
activity:139878,
activity:731903,
activity:1280325,
activity:2359814,
activity:2359822,
activity:2380218,
activity:2380230,
activity:2380252,
activity:2380271,
activity:2380291,
activity:3640643,
activity:3671858,
activity:3711524,
activity:3921155,
activity:4123464,
activity:4541641,
activity:4546000,
activity:4589006,
activity:4619102,
activity:4655720,
activity:4671078,
activity:4803445,
activity:4807551,
activity:4809567,
activity:4850053,
activity:4965828,
activity:4973849,
activity:4973944,
activity:4977923,
activity:4986106,
activity:5002507,
activity:5025582,
activity:5033349,
activity:5074274,
activity:5852830,
activity:5861262,
activity:5986614,
activity:5987135,
activity:5988463,
activity:5990464,
activity:5995111,
activity:5995686,
activity:5996042,
activity:5997993,
activity:6001322,
activity:6003328,
activity:6004841,
activity:6006500,
activity:6007846,
activity:6014850,
activity:6018068,
activity:6019777,
activity:6032944,
activity:6033938,
activity:6036030,
activity:6036950,
activity:6046913,
activity:6049778
|
