|
rdf:type |
|
|
chemicalCompound:parent |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C28H27NO4S.ClH/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;1H
|
|
chemicalCompound:standardIn... |
BKXVVCILCIUCLG-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Cl.Oc1ccc(cc1)c2sc3cc(O)ccc3c2C(=O)c4ccc(OCCN5CCCCC5)cc4
|
|
chemicalCompound:molecularF... |
C28H28ClNO4S
|
|
chemicalCompound:moleculeId |
158276
|
|
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 |
510.044
|
|
chemicalCompound:acdMostBpk... |
8.515
|
|
chemicalCompound:chemblId |
CHEMBL1116
|
|
chemicalCompound:maxPhase |
4
|
|
chemicalCompound:therapeuti... |
1
|
|
chemicalCompound:dosedIngre... |
Yes
|
|
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 HYDROCHLORIDE
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:firstAppro... |
1997
|
|
chemicalCompound:activity |
activity:194868,
activity:194869,
activity:194870,
activity:302327,
activity:302328,
activity:302329,
activity:302330,
activity:1044239,
activity:1044240,
activity:1044241,
activity:1044242,
activity:1044243,
activity:1044244,
activity:1044245,
activity:1044246,
activity:1044247,
activity:1044248,
activity:1044249,
activity:1044250,
activity:1044251,
activity:1044252,
activity:1044253,
activity:1044254,
activity:1044255,
activity:1044256,
activity:1044257,
activity:1044258,
activity:1044259,
activity:1044260,
activity:1044261,
activity:1044262,
activity:1044263,
activity:1044264,
activity:1044265,
activity:1044266,
activity:1044267,
activity:1044268,
activity:1044269,
activity:1044270,
activity:1060819,
activity:1060820,
activity:1125255,
activity:1125256,
activity:1125257,
activity:1125258,
activity:1125259,
activity:1125260,
activity:1125261,
activity:1125262,
activity:1125263,
activity:1125264,
activity:1125265,
activity:1610723,
activity:1610724,
activity:1610725
|
