|
rdf:type |
|
|
chemicalCompound:synonym |
synonym:860_Cyren A_OTHER,
synonym:860_DES_TRADE_NAME,
synonym:860_Dibestil_TRADE_NAME,
synonym:860_Diethylstilbestrol_BAN,
synonym:860_Diethylstilbestrol_FDA_ALTERNATIVE_NAME,
synonym:860_Diethylstilbestrol_INN,
synonym:860_Diethylstilbestrol_TRADE_NAME,
synonym:860_Diethylstilbestrol_USAN,
synonym:860_Diethylstilbestrol_USP,
synonym:860_Estrobene_OTHER,
synonym:860_Estrogenine_OTHER,
synonym:860_Estromenin_OTHER,
synonym:860_Fonatol_OTHER,
synonym:860_Fosfestrol_TRADE_NAME,
synonym:860_New-Estranol 1_OTHER,
synonym:860_Palestrol_OTHER,
synonym:860_Stilbestroform_OTHER,
synonym:860_Stilbestrol_TRADE_NAME,
synonym:860_Stilbetin_TRADE_NAME,
synonym:860_Stilboesterol_TRADE_NAME,
synonym:860_Stilboestrol_OTHER,
synonym:860_Stilphostrol_OTHER,
synonym:860_Stilphostrol_TRADE_NAME,
synonym:860_Synestrin_OTHER,
synonym:860_Synthestrin_OTHER
|
|
chemicalCompound:standardIn... |
InChI=1S/C18H20O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,19-20H,3-4H2,1-2H3/b18-17+
|
|
chemicalCompound:standardIn... |
RGLYKWWBQGJZGM-ISLYRVAYSA-N
|
|
chemicalCompound:canonicalS... |
CC\C(=C(\CC)/c1ccc(O)cc1)\c2ccc(O)cc2
|
|
chemicalCompound:molecularF... |
C18H20O2
|
|
chemicalCompound:moleculeId |
860
|
|
chemicalCompound:mwFreebase |
268.35
|
|
chemicalCompound:alogp |
5.137
|
|
chemicalCompound:hba |
2
|
|
chemicalCompound:hbd |
2
|
|
chemicalCompound:psa |
40.46
|
|
chemicalCompound:rtb |
4
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
1
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
10.185
|
|
chemicalCompound:acdLogP |
5.33
|
|
chemicalCompound:acdLogD |
5.329
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
268.35
|
|
chemicalCompound:chemblId |
CHEMBL411
|
|
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 |
DIETHYLSTILBESTROL
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:activity |
activity:121013,
activity:206513,
activity:206514,
activity:206515,
activity:206516,
activity:216750,
activity:216751,
activity:216752,
activity:298581,
activity:356816,
activity:368222,
activity:568161,
activity:568162,
activity:568163,
activity:666340,
activity:820735,
activity:835273,
activity:861640,
activity:861641,
activity:865230,
activity:877886,
activity:935798,
activity:977850,
activity:977851,
activity:1001016,
activity:1001017,
activity:1001018,
activity:1064245,
activity:1064246,
activity:1176579,
activity:1176580,
activity:1176581,
activity:1281824,
activity:1281825,
activity:1281826,
activity:1281827,
activity:1448912,
activity:1461427,
activity:1461428,
activity:1461429
|
