|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C18H29N3O5/c1-18(2,3)19-11-15(22)12-8-13(25-16(23)20(4)5)10-14(9-12)26-17(24)21(6)7/h8-10,15,19,22H,11H2,1-7H3
|
|
chemicalCompound:standardIn... |
ANZXOIAKUNOVQU-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
CN(C)C(=O)Oc1cc(OC(=O)N(C)C)cc(c1)C(O)CNC(C)(C)C
|
|
chemicalCompound:molecularF... |
C18H29N3O5
|
|
chemicalCompound:moleculeId |
453827
|
|
chemicalCompound:mwFreebase |
367.44
|
|
chemicalCompound:alogp |
1.727
|
|
chemicalCompound:hba |
6
|
|
chemicalCompound:hbd |
2
|
|
chemicalCompound:psa |
91.33
|
|
chemicalCompound:rtb |
8
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
13.695
|
|
chemicalCompound:acdLogP |
1.043
|
|
chemicalCompound:acdLogD |
-1.05
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
367.44
|
|
chemicalCompound:acdMostBpk... |
9.575
|
|
chemicalCompound:chemblId |
CHEMBL521589
|
|
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 |
BAMBUTEROL
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:activity |
activity:2588950,
activity:3393742,
activity:3393743,
activity:3393744,
activity:3393745,
activity:3393746,
activity:3393747,
activity:3393748,
activity:3393749,
activity:3393750,
activity:3393751,
activity:3393752,
activity:3393753,
activity:3393754,
activity:3393755,
activity:3393756,
activity:3393757,
activity:4750859,
activity:5081176,
activity:5081297,
activity:5081780,
activity:5083286,
activity:5316446,
activity:5316533,
activity:6605839,
activity:7605052,
activity:7605053,
activity:7605054,
activity:7605055,
activity:7605056,
activity:7605057,
activity:7606379,
activity:7606380,
activity:7606381,
activity:7606382,
activity:7606383,
activity:7606384,
activity:7606385,
activity:7606386,
activity:7606387,
activity:7606388,
activity:7606389,
activity:7606390,
activity:7606391,
activity:7606392,
activity:7606393,
activity:7606394,
activity:7606395,
activity:7606396,
activity:7606397,
activity:7606398,
activity:7606399,
activity:7606400,
activity:7606401,
activity:7606402,
activity:7606403,
activity:7606404,
activity:7606405,
activity:7606406,
activity:7606407,
activity:7606408,
activity:7606409,
activity:7606410
|
