|
rdf:type |
|
|
chemicalCompound:parent |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C13H18ClNO.ClH/c1-9(15-13(2,3)4)12(16)10-6-5-7-11(14)8-10;/h5-9,15H,1-4H3;1H
|
|
chemicalCompound:standardIn... |
HEYVINCGKDONRU-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Cl.CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1
|
|
chemicalCompound:molecularF... |
C13H19Cl2NO
|
|
chemicalCompound:moleculeId |
545956
|
|
chemicalCompound:mwFreebase |
239.741
|
|
chemicalCompound:alogp |
3.119
|
|
chemicalCompound:hba |
2
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
29.1
|
|
chemicalCompound:rtb |
4
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
2.323
|
|
chemicalCompound:acdLogD |
2.127
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
276.202
|
|
chemicalCompound:acdMostBpk... |
7.158
|
|
chemicalCompound:chemblId |
CHEMBL1698
|
|
chemicalCompound:maxPhase |
4
|
|
chemicalCompound:therapeuti... |
1
|
|
chemicalCompound:dosedIngre... |
Yes
|
|
chemicalCompound:structureT... |
|
|
chemicalCompound:chebi |
|
|
chemicalCompound:moleculeTy... |
|
|
chemicalCompound:oral |
Yes
|
|
chemicalCompound:parenteral |
No
|
|
chemicalCompound:topical |
No
|
|
chemicalCompound:blackBoxWa... |
No
|
|
chemicalCompound:naturalPro... |
No
|
|
chemicalCompound:proDrug |
No
|
|
chemicalCompound:prefName |
BUPROPION HYDROCHLORIDE
|
|
chemicalCompound:firstAppro... |
1985
|
|
chemicalCompound:activity |
activity:803258,
activity:3472779,
activity:3484579,
activity:3489265,
activity:3489344,
activity:3636053,
activity:3908564,
activity:3974173,
activity:4183566,
activity:4279471,
activity:4350501,
activity:4536240,
activity:4753868,
activity:4945712,
activity:5316469,
activity:5316546,
activity:5721696,
activity:5817036,
activity:6514101,
activity:6838087,
activity:7325574,
activity:7469486,
activity:8273878,
activity:8320738,
activity:8390837,
activity:8580015,
activity:8582277,
activity:8584827,
activity:8681288,
activity:8770047,
activity:8776413,
activity:8797751,
activity:8799565,
activity:8918867,
activity:8961871,
activity:9070384,
activity:9178845,
activity:9203850,
activity:9214033,
activity:9287138,
activity:9305201,
activity:9315743,
activity:9350179,
activity:9366053,
activity:9368385,
activity:9449757,
activity:9517059,
activity:9685064,
activity:9740396,
activity:9755529,
activity:9789413,
activity:9816204,
activity:9920517,
activity:9954018,
activity:10048527
|
