|
rdf:type |
|
|
chemicalCompound:synonym |
synonym:27912_BAY-5360_RESEARCH_CODE,
synonym:27912_Flagyl 375_TRADE_NAME,
synonym:27912_Flagyl ER_TRADE_NAME,
synonym:27912_Flagyl i.v. rtu in plastic container_TRADE_NAME,
synonym:27912_Flagyl_TRADE_NAME,
synonym:27912_Metric 21_TRADE_NAME,
synonym:27912_Metro IV_TRADE_NAME,
synonym:27912_Metro i.v._TRADE_NAME,
synonym:27912_MetroGel_TRADE_NAME,
synonym:27912_Metrocream_TRADE_NAME,
synonym:27912_Metrogel-vaginal_TRADE_NAME,
synonym:27912_Metrolotion_TRADE_NAME,
synonym:27912_Metrolyl_TRADE_NAME,
synonym:27912_Metromidol_TRADE_NAME,
synonym:27912_Metronidazole_BAN,
synonym:27912_Metronidazole_FDA_ALTERNATIVE_NAME,
synonym:27912_Metronidazole_INN,
synonym:27912_Metronidazole_JAN,
synonym:27912_Metronidazole_TRADE_NAME,
synonym:27912_Metronidazole_USAN,
synonym:27912_Metronidazole_USP,
synonym:27912_Noritate_TRADE_NAME,
synonym:27912_Protostat_TRADE_NAME,
synonym:27912_RP-8823_RESEARCH_CODE,
synonym:27912_Satric_TRADE_NAME,
synonym:27912_Vandazole_TRADE_NAME
|
|
chemicalCompound:standardIn... |
InChI=1S/C6H9N3O3/c1-5-7-4-6(9(11)12)8(5)2-3-10/h4,10H,2-3H2,1H3
|
|
chemicalCompound:standardIn... |
VAOCPAMSLUNLGC-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Cc1ncc([N+](=O)[O-])n1CCO
|
|
chemicalCompound:molecularF... |
C6H9N3O3
|
|
chemicalCompound:moleculeId |
27912
|
|
chemicalCompound:mwFreebase |
171.154
|
|
chemicalCompound:alogp |
-0.337
|
|
chemicalCompound:hba |
4
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
83.87
|
|
chemicalCompound:rtb |
3
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
N
|
|
chemicalCompound:acdLogP |
-0.135
|
|
chemicalCompound:acdLogD |
-0.135
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
171.154
|
|
chemicalCompound:acdMostBpk... |
2.578
|
|
chemicalCompound:chemblId |
CHEMBL137
|
|
chemicalCompound:maxPhase |
4
|
|
chemicalCompound:therapeuti... |
1
|
|
chemicalCompound:dosedIngre... |
Yes
|
|
chemicalCompound:structureT... |
|
|
chemicalCompound:chebi |
|
|
chemicalCompound:moleculeTy... |
|
|
chemicalCompound:oral |
Yes
|
|
chemicalCompound:parenteral |
Yes
|
|
chemicalCompound:topical |
Yes
|
|
chemicalCompound:blackBoxWa... |
No
|
|
chemicalCompound:naturalPro... |
No
|
|
chemicalCompound:proDrug |
No
|
|
chemicalCompound:prefName |
METRONIDAZOLE
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:activity |
activity:47645,
activity:47646,
activity:71389,
activity:71390,
activity:71391,
activity:71392,
activity:71393,
activity:71394,
activity:71395,
activity:101314,
activity:101315,
activity:101316,
activity:101317,
activity:101318,
activity:101319,
activity:101320,
activity:101321,
activity:101322,
activity:101323,
activity:101324,
activity:101325,
activity:101326,
activity:101327,
activity:101328,
activity:101329,
activity:101330,
activity:101331,
activity:101332,
activity:130575,
activity:130576,
activity:130577,
activity:130578,
activity:130579,
activity:130580,
activity:130581,
activity:134700,
activity:134922,
activity:134923,
activity:134924
|
