|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
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-/m0/s1
|
|
chemicalCompound:standardIn... |
AQHHHDLHHXJYJD-AWEZNQCLSA-N
|
|
chemicalCompound:canonicalS... |
CC(C)NC[C@H](O)COc1cccc2ccccc12
|
|
chemicalCompound:molecularF... |
C16H21NO2
|
|
chemicalCompound:moleculeId |
454176
|
|
chemicalCompound:mwFreebase |
259.343
|
|
chemicalCompound:alogp |
2.54
|
|
chemicalCompound:hba |
3
|
|
chemicalCompound:hbd |
2
|
|
chemicalCompound:psa |
41.49
|
|
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 |
CHEMBL452861
|
|
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 |
(-)-PROPANOLOL
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:activity |
activity:130071,
activity:130072,
activity:130073,
activity:225228,
activity:225229,
activity:225230,
activity:225231,
activity:225232,
activity:225233,
activity:225234,
activity:256836,
activity:669183,
activity:690060,
activity:690061,
activity:690062,
activity:690063,
activity:690064,
activity:738441,
activity:738442,
activity:1284008,
activity:1284009,
activity:2318834,
activity:2555654,
activity:2582891,
activity:3903269,
activity:4190879,
activity:4982121,
activity:5796057,
activity:5987072,
activity:5990657,
activity:6011935,
activity:6018237,
activity:6019104,
activity:6455519,
activity:6864915,
activity:7456509,
activity:7459556,
activity:7473148,
activity:7473230,
activity:7491694,
activity:7493574,
activity:7501879,
activity:7526468,
activity:7809179,
activity:7809180,
activity:7809181,
activity:7809182,
activity:7809183,
activity:7809184,
activity:7809185,
activity:7809186,
activity:7809187,
activity:7809188,
activity:7809189,
activity:7809190,
activity:7809191,
activity:7809192,
activity:7809193,
activity:7809194,
activity:7809195,
activity:7809196,
activity:7809197,
activity:7809198
|
