|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C23H26N2O2/c26-23(27-21-16-24-13-10-18(21)11-14-24)25-15-12-17-6-4-5-9-20(17)22(25)19-7-2-1-3-8-19/h1-9,18,21-22H,10-16H2/t21-,22-/m0/s1
|
|
chemicalCompound:standardIn... |
FBOUYBDGKBSUES-VXKWHMMOSA-N
|
|
chemicalCompound:canonicalS... |
O=C(O[C@H]1CN2CCC1CC2)N3CCc4ccccc4[C@@H]3c5ccccc5
|
|
chemicalCompound:molecularF... |
C23H26N2O2
|
|
chemicalCompound:moleculeId |
561914
|
|
chemicalCompound:mwFreebase |
362.465
|
|
chemicalCompound:alogp |
4.029
|
|
chemicalCompound:hba |
3
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
32.78
|
|
chemicalCompound:rtb |
3
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
4.159
|
|
chemicalCompound:acdLogD |
2.531
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
362.465
|
|
chemicalCompound:acdMostBpk... |
9.033
|
|
chemicalCompound:chemblId |
CHEMBL1734
|
|
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 |
SOLIFENACIN
|
|
chemicalCompound:firstAppro... |
2004
|
|
chemicalCompound:activity |
activity:1613280,
activity:1613281,
activity:1613282,
activity:1613283,
activity:1613284,
activity:1613285,
activity:1613286,
activity:1613287,
activity:1613288,
activity:2672643,
activity:2672644,
activity:2978501,
activity:2978511,
activity:2979910,
activity:2990503,
activity:2990628,
activity:2994776,
activity:2994913,
activity:2996195,
activity:2996499,
activity:5079240,
activity:5079289,
activity:5079519,
activity:5081588,
activity:5082740,
activity:6511564,
activity:7142748,
activity:9342698
|
