|
rdf:type |
|
|
chemicalCompound:synonym |
synonym:8917_Conofite_TRADE_NAME,
synonym:8917_Dermazole_TRADE_NAME,
synonym:8917_Micatin_TRADE_NAME,
synonym:8917_Miconazole_BAN,
synonym:8917_Miconazole_FDA_ALTERNATIVE_NAME,
synonym:8917_Miconazole_INN,
synonym:8917_Miconazole_JAN,
synonym:8917_Miconazole_USAN,
synonym:8917_Miconazole_USP,
synonym:8917_Monistat-3_TRADE_NAME,
synonym:8917_Monistat-Derm_OTHER,
synonym:8917_Monistat-Derm_TRADE_NAME,
synonym:8917_Monistat_TRADE_NAME,
synonym:8917_Vusion_OTHER
|
|
chemicalCompound:standardIn... |
InChI=1S/C18H14Cl4N2O/c19-13-2-1-12(16(21)7-13)10-25-18(9-24-6-5-23-11-24)15-4-3-14(20)8-17(15)22/h1-8,11,18H,9-10H2
|
|
chemicalCompound:standardIn... |
BYBLEWFAAKGYCD-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Clc1ccc(COC(Cn2ccnc2)c3ccc(Cl)cc3Cl)c(Cl)c1
|
|
chemicalCompound:molecularF... |
C18H14Cl4N2O
|
|
chemicalCompound:moleculeId |
8917
|
|
chemicalCompound:mwFreebase |
416.129
|
|
chemicalCompound:alogp |
5.645
|
|
chemicalCompound:hba |
2
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
27.05
|
|
chemicalCompound:rtb |
6
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
1
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
4.972
|
|
chemicalCompound:acdLogD |
4.902
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
416.129
|
|
chemicalCompound:acdMostBpk... |
6.645
|
|
chemicalCompound:chemblId |
CHEMBL91
|
|
chemicalCompound:maxPhase |
4
|
|
chemicalCompound:therapeuti... |
1
|
|
chemicalCompound:dosedIngre... |
Yes
|
|
chemicalCompound:structureT... |
|
|
chemicalCompound:chebi |
|
|
chemicalCompound:moleculeTy... |
|
|
chemicalCompound:oral |
No
|
|
chemicalCompound:parenteral |
Yes
|
|
chemicalCompound:topical |
Yes
|
|
chemicalCompound:blackBoxWa... |
No
|
|
chemicalCompound:naturalPro... |
No
|
|
chemicalCompound:proDrug |
No
|
|
chemicalCompound:prefName |
MICONAZOLE
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:activity |
activity:49092,
activity:49093,
activity:49094,
activity:95676,
activity:95677,
activity:95678,
activity:95679,
activity:95680,
activity:95681,
activity:95682,
activity:95683,
activity:95684,
activity:95685,
activity:95686,
activity:95687,
activity:95688,
activity:95689,
activity:95690,
activity:95691,
activity:95692,
activity:95693,
activity:95694,
activity:95695,
activity:100100,
activity:100101,
activity:100102,
activity:100103,
activity:112373,
activity:112374,
activity:112375,
activity:112376,
activity:112377,
activity:112378,
activity:112379,
activity:112380,
activity:112381,
activity:112382,
activity:112383,
activity:112384,
activity:112385,
activity:112386,
activity:112387,
activity:112388,
activity:112389,
activity:112390,
activity:112391,
activity:112392,
activity:112393,
activity:112394,
activity:112395,
activity:203653
|
