|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C26H29NO2/c1-4-25(20-8-6-5-7-9-20)26(21-10-14-23(28)15-11-21)22-12-16-24(17-13-22)29-19-18-27(2)3/h5-17,28H,4,18-19H2,1-3H3/b26-25-
|
|
chemicalCompound:standardIn... |
TXUZVZSFRXZGTL-QPLCGJKRSA-N
|
|
chemicalCompound:canonicalS... |
CC\C(=C(/c1ccc(O)cc1)\c2ccc(OCCN(C)C)cc2)\c3ccccc3
|
|
chemicalCompound:molecularF... |
C26H29NO2
|
|
chemicalCompound:moleculeId |
6402
|
|
chemicalCompound:mwFreebase |
387.514
|
|
chemicalCompound:alogp |
6.077
|
|
chemicalCompound:hba |
3
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
32.7
|
|
chemicalCompound:rtb |
8
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
1
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
10.353
|
|
chemicalCompound:acdLogP |
4.927
|
|
chemicalCompound:acdLogD |
3.63
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
387.514
|
|
chemicalCompound:acdMostBpk... |
8.7
|
|
chemicalCompound:chemblId |
CHEMBL489
|
|
chemicalCompound:maxPhase |
4
|
|
chemicalCompound:therapeuti... |
1
|
|
chemicalCompound:dosedIngre... |
No
|
|
chemicalCompound:structureT... |
|
|
chemicalCompound:chebi |
|
|
chemicalCompound:moleculeTy... |
|
|
chemicalCompound:oral |
No
|
|
chemicalCompound:parenteral |
No
|
|
chemicalCompound:topical |
No
|
|
chemicalCompound:blackBoxWa... |
No
|
|
chemicalCompound:naturalPro... |
No
|
|
chemicalCompound:proDrug |
No
|
|
chemicalCompound:prefName |
4-HYDROXYTAMOXIFEN
|
|
chemicalCompound:activity |
activity:83910,
activity:140093,
activity:140094,
activity:140095,
activity:191438,
activity:191439,
activity:191440,
activity:508453,
activity:508454,
activity:572242,
activity:572243,
activity:572244,
activity:572245,
activity:610774,
activity:610775,
activity:610776,
activity:610777,
activity:610778,
activity:610779,
activity:610780,
activity:610781,
activity:610782,
activity:610783,
activity:610784,
activity:610785,
activity:610786,
activity:662580,
activity:662581,
activity:662582,
activity:662583,
activity:662584,
activity:662585,
activity:869188,
activity:869189,
activity:869190,
activity:869191,
activity:886237,
activity:886238,
activity:886239,
activity:886240,
activity:886241,
activity:886242,
activity:892336,
activity:892337,
activity:892338,
activity:1022151,
activity:1022152,
activity:1022153,
activity:1022154,
activity:1022155,
activity:1022156,
activity:1101751,
activity:1101752,
activity:1108564,
activity:1108565,
activity:1108566,
activity:1108567,
activity:1108568,
activity:1108569,
activity:1108570,
activity:1116024,
activity:1116025,
activity:1151573,
activity:1151574
|
