|
rdf:type |
|
|
chemicalCompound:synonym |
synonym:15086_Carbamazepine_BAN,
synonym:15086_Carbamazepine_FDA_ALTERNATIVE_NAME,
synonym:15086_Carbamazepine_INN,
synonym:15086_Carbamazepine_JAN,
synonym:15086_Carbamazepine_TRADE_NAME,
synonym:15086_Carbamazepine_USAN,
synonym:15086_Carbamazepine_USP,
synonym:15086_Carbatrol_TRADE_NAME,
synonym:15086_Epitol_TRADE_NAME,
synonym:15086_Equetro_TRADE_NAME,
synonym:15086_G-32883_RESEARCH_CODE,
synonym:15086_Tegretol XR_TRADE_NAME,
synonym:15086_Tegretol-XR_TRADE_NAME,
synonym:15086_Tegretol_TRADE_NAME,
synonym:15086_Teril_TRADE_NAME
|
|
chemicalCompound:standardIn... |
InChI=1S/C15H12N2O/c16-15(18)17-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)17/h1-10H,(H2,16,18)
|
|
chemicalCompound:standardIn... |
FFGPTBGBLSHEPO-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
NC(=O)N1c2ccccc2C=Cc3ccccc13
|
|
chemicalCompound:molecularF... |
C15H12N2O
|
|
chemicalCompound:moleculeId |
15086
|
|
chemicalCompound:mwFreebase |
236.269
|
|
chemicalCompound:alogp |
2.679
|
|
chemicalCompound:hba |
1
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
46.33
|
|
chemicalCompound:rtb |
0
|
|
chemicalCompound:ro3Pass |
Y
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
13.944
|
|
chemicalCompound:acdLogP |
1.895
|
|
chemicalCompound:acdLogD |
1.895
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
236.269
|
|
chemicalCompound:chemblId |
CHEMBL108
|
|
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... |
Yes
|
|
chemicalCompound:naturalPro... |
No
|
|
chemicalCompound:proDrug |
Yes
|
|
chemicalCompound:prefName |
CARBAMAZEPINE
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:activity |
activity:32833,
activity:32834,
activity:32835,
activity:32836,
activity:32837,
activity:32838,
activity:40939,
activity:53084,
activity:84717,
activity:84718,
activity:84719,
activity:84720,
activity:84721,
activity:116327,
activity:116328,
activity:116329,
activity:116330,
activity:116331,
activity:116332,
activity:116333,
activity:116334,
activity:117585,
activity:117586,
activity:117587,
activity:117588,
activity:117589,
activity:117590,
activity:120311,
activity:120312,
activity:120313,
activity:120314,
activity:120315,
activity:120316,
activity:120317,
activity:120318,
activity:120319,
activity:120320,
activity:120321,
activity:120322,
activity:187959,
activity:282149,
activity:282150,
activity:282151,
activity:282152,
activity:282153,
activity:282154,
activity:282155,
activity:282156,
activity:294981,
activity:294982
|
