|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C28H27NO4S/c30-21-8-4-20(5-9-21)28-26(24-13-10-22(31)18-25(24)34-28)27(32)19-6-11-23(12-7-19)33-17-16-29-14-2-1-3-15-29/h4-13,18,30-31H,1-3,14-17H2
|
|
chemicalCompound:standardIn... |
GZUITABIAKMVPG-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Oc1ccc(cc1)c2sc3cc(O)ccc3c2C(=O)c4ccc(OCCN5CCCCC5)cc4
|
|
chemicalCompound:molecularF... |
C28H27NO4S
|
|
chemicalCompound:moleculeId |
6914
|
|
chemicalCompound:mwFreebase |
473.583
|
|
chemicalCompound:alogp |
6.461
|
|
chemicalCompound:hba |
5
|
|
chemicalCompound:hbd |
2
|
|
chemicalCompound:psa |
98.24
|
|
chemicalCompound:rtb |
7
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
1
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
8.833
|
|
chemicalCompound:acdLogP |
4.569
|
|
chemicalCompound:acdLogD |
3.403
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
473.583
|
|
chemicalCompound:acdMostBpk... |
8.515
|
|
chemicalCompound:chemblId |
CHEMBL81
|
|
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... |
No
|
|
chemicalCompound:naturalPro... |
No
|
|
chemicalCompound:proDrug |
No
|
|
chemicalCompound:prefName |
RALOXIFENE
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:firstAppro... |
1997
|
|
chemicalCompound:activity |
activity:103915,
activity:103916,
activity:103917,
activity:103918,
activity:103919,
activity:148587,
activity:148588,
activity:148589,
activity:200451,
activity:200452,
activity:200453,
activity:200454,
activity:272325,
activity:272326,
activity:272327,
activity:285977,
activity:285978,
activity:388439,
activity:388440,
activity:388441,
activity:388442,
activity:388443,
activity:388444,
activity:388445,
activity:433161,
activity:433162,
activity:440849,
activity:519293,
activity:519294,
activity:519295,
activity:519296,
activity:519297,
activity:519298,
activity:519299,
activity:718901,
activity:718902,
activity:718903,
activity:718904,
activity:718905,
activity:868510,
activity:868511,
activity:868512,
activity:868513,
activity:893425,
activity:893426,
activity:893427,
activity:988104,
activity:988105,
activity:988106,
activity:988107,
activity:993611,
activity:993612,
activity:993613,
activity:1054227,
activity:1054228,
activity:1062896,
activity:1062897,
activity:1062898,
activity:1062899
|
