|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C13H18ClNO/c1-9(15-13(2,3)4)12(16)10-6-5-7-11(14)8-10/h5-9,15H,1-4H3
|
|
chemicalCompound:standardIn... |
SNPPWIUOZRMYNY-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1
|
|
chemicalCompound:molecularF... |
C13H18ClNO
|
|
chemicalCompound:moleculeId |
77128
|
|
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 |
239.741
|
|
chemicalCompound:acdMostBpk... |
7.158
|
|
chemicalCompound:chemblId |
CHEMBL894
|
|
chemicalCompound:maxPhase |
4
|
|
chemicalCompound:therapeuti... |
1
|
|
chemicalCompound:dosedIngre... |
No
|
|
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
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:firstAppro... |
1985
|
|
chemicalCompound:activity |
activity:40932,
activity:433357,
activity:433358,
activity:433359,
activity:433360,
activity:433361,
activity:708460,
activity:708461,
activity:708462,
activity:708463,
activity:708464,
activity:1081502,
activity:1246784,
activity:1484931,
activity:1484932,
activity:1484933,
activity:1484934,
activity:1484935,
activity:1484936,
activity:2062620,
activity:2357408,
activity:2606932,
activity:2607016,
activity:2657847,
activity:2657848,
activity:2657862,
activity:2990784,
activity:2990786,
activity:2990800,
activity:2990878,
activity:3008258,
activity:3008259,
activity:3008260,
activity:3008261,
activity:3008262,
activity:3008263,
activity:3008264,
activity:3008265,
activity:3008266,
activity:3008267,
activity:3008268,
activity:3008269,
activity:3008270,
activity:3008271,
activity:3008272,
activity:3008273,
activity:3012217,
activity:3012218,
activity:3012219,
activity:3012220,
activity:3012221,
activity:3012222,
activity:3012258,
activity:3012274,
activity:3012295,
activity:3012346,
activity:3012404,
activity:3012460
|
