|
rdf:type |
|
|
chemicalCompound:synonym |
synonym:635_Anexate_TRADE_NAME,
synonym:635_Flumazenil_BAN,
synonym:635_Flumazenil_FDA_ALTERNATIVE_NAME,
synonym:635_Flumazenil_INN,
synonym:635_Flumazenil_TRADE_NAME,
synonym:635_Flumazenil_USAN,
synonym:635_Flumazenil_USP,
synonym:635_Flumazepil_OTHER,
synonym:635_Flumazepil_TRADE_NAME,
synonym:635_Mazicon_TRADE_NAME,
synonym:635_Ro-15-1788_RESEARCH_CODE,
synonym:635_Romazicon_TRADE_NAME
|
|
chemicalCompound:standardIn... |
InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3
|
|
chemicalCompound:standardIn... |
OFBIFZUFASYYRE-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
CCOC(=O)c1ncn2c1CN(C)C(=O)c3cc(F)ccc23
|
|
chemicalCompound:molecularF... |
C15H14FN3O3
|
|
chemicalCompound:moleculeId |
635
|
|
chemicalCompound:mwFreebase |
303.288
|
|
chemicalCompound:alogp |
1.583
|
|
chemicalCompound:hba |
4
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
64.43
|
|
chemicalCompound:rtb |
3
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
2.151
|
|
chemicalCompound:acdLogD |
2.151
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
303.288
|
|
chemicalCompound:acdMostBpk... |
0.859
|
|
chemicalCompound:chemblId |
CHEMBL407
|
|
chemicalCompound:maxPhase |
4
|
|
chemicalCompound:therapeuti... |
1
|
|
chemicalCompound:dosedIngre... |
Yes
|
|
chemicalCompound:structureT... |
|
|
chemicalCompound:chebi |
|
|
chemicalCompound:moleculeTy... |
|
|
chemicalCompound:oral |
No
|
|
chemicalCompound:parenteral |
Yes
|
|
chemicalCompound:topical |
No
|
|
chemicalCompound:blackBoxWa... |
No
|
|
chemicalCompound:naturalPro... |
No
|
|
chemicalCompound:proDrug |
No
|
|
chemicalCompound:prefName |
FLUMAZENIL
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:firstAppro... |
1987
|
|
chemicalCompound:activity |
activity:60182,
activity:60183,
activity:60184,
activity:60185,
activity:60186,
activity:60187,
activity:110403,
activity:110404,
activity:176800,
activity:176801,
activity:258930,
activity:258931,
activity:258932,
activity:258933,
activity:311587,
activity:311588,
activity:311589,
activity:311590,
activity:311591,
activity:311592,
activity:311593,
activity:311594,
activity:311595,
activity:311596,
activity:311597,
activity:311598,
activity:382346,
activity:382347,
activity:440048,
activity:440049,
activity:440050,
activity:442055,
activity:442056,
activity:454460,
activity:454461,
activity:454462,
activity:454463,
activity:472956,
activity:472957,
activity:506741,
activity:506742,
activity:571815,
activity:571816,
activity:605777,
activity:605778,
activity:605779,
activity:605780,
activity:605781,
activity:605782,
activity:672060,
activity:672061,
activity:672062
|
