|
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
|
|
chemicalCompound:standardIn... |
AQHHHDLHHXJYJD-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
CC(C)NCC(O)COc1cccc2ccccc12
|
|
chemicalCompound:molecularF... |
C16H21NO2
|
|
chemicalCompound:moleculeId |
1370
|
|
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 |
CHEMBL27
|
|
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 |
PROPRANOLOL
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:activity |
activity:53873,
activity:56633,
activity:56634,
activity:56635,
activity:56636,
activity:70126,
activity:74220,
activity:74221,
activity:74222,
activity:87015,
activity:87016,
activity:87017,
activity:87018,
activity:87019,
activity:87020,
activity:87021,
activity:87022,
activity:87023,
activity:87024,
activity:87025,
activity:87026,
activity:87027,
activity:105297,
activity:105298,
activity:105299,
activity:105300,
activity:105301,
activity:114510,
activity:114511,
activity:114512,
activity:117374,
activity:117375,
activity:117376,
activity:117377,
activity:117378,
activity:117379,
activity:127694,
activity:127695,
activity:127696,
activity:127931,
activity:127932,
activity:127933,
activity:127934,
activity:133030,
activity:133031,
activity:133032,
activity:133033,
activity:133034,
activity:133035,
activity:133036,
activity:133037,
activity:140146,
activity:140147,
activity:140148,
activity:140149,
activity:140150,
activity:140151
|
