|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C26H29NO/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)28-20-19-27(2)3/h5-18H,4,19-20H2,1-3H3/b26-25-
|
|
chemicalCompound:standardIn... |
NKANXQFJJICGDU-QPLCGJKRSA-N
|
|
chemicalCompound:canonicalS... |
CC\C(=C(/c1ccccc1)\c2ccc(OCCN(C)C)cc2)\c3ccccc3
|
|
chemicalCompound:molecularF... |
C26H29NO
|
|
chemicalCompound:moleculeId |
6968
|
|
chemicalCompound:mwFreebase |
371.515
|
|
chemicalCompound:alogp |
6.319
|
|
chemicalCompound:hba |
2
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
12.47
|
|
chemicalCompound:rtb |
8
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
1
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
5.133
|
|
chemicalCompound:acdLogD |
3.828
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
371.515
|
|
chemicalCompound:acdMostBpk... |
8.691
|
|
chemicalCompound:chemblId |
CHEMBL83
|
|
chemicalCompound:maxPhase |
4
|
|
chemicalCompound:therapeuti... |
1
|
|
chemicalCompound:dosedIngre... |
No
|
|
chemicalCompound:structureT... |
|
|
chemicalCompound:chebi |
|
|
chemicalCompound:moleculeTy... |
|
|
chemicalCompound:oral |
Yes
|
|
chemicalCompound:parenteral |
No
|
|
chemicalCompound:topical |
No
|
|
chemicalCompound:blackBoxWa... |
Yes
|
|
chemicalCompound:naturalPro... |
No
|
|
chemicalCompound:proDrug |
No
|
|
chemicalCompound:prefName |
TAMOXIFEN
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:activity |
activity:40476,
activity:40477,
activity:96916,
activity:98827,
activity:98828,
activity:98829,
activity:98830,
activity:103725,
activity:103726,
activity:187808,
activity:187809,
activity:187810,
activity:193809,
activity:202206,
activity:202207,
activity:216040,
activity:216041,
activity:222357,
activity:222358,
activity:222359,
activity:222360,
activity:222361,
activity:222362,
activity:278555,
activity:311224,
activity:372427,
activity:384641,
activity:384642,
activity:384643,
activity:384644,
activity:430963,
activity:430964,
activity:442003,
activity:442004,
activity:442005,
activity:442006,
activity:442007,
activity:442008,
activity:442009,
activity:442010,
activity:442011,
activity:452698,
activity:452917,
activity:453791,
activity:453792,
activity:453793,
activity:453794,
activity:453795,
activity:559930,
activity:559931,
activity:575725,
activity:575726,
activity:575727,
activity:575728,
activity:583850,
activity:583851,
activity:583852
|
