|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C24H21F2NO3/c25-17-5-1-15(2-6-17)22(29)14-13-21-23(16-3-11-20(28)12-4-16)27(24(21)30)19-9-7-18(26)8-10-19/h1-12,21-23,28-29H,13-14H2/t21-,22+,23-/m1/s1
|
|
chemicalCompound:standardIn... |
OLNTVTPDXPETLC-XPWALMASSA-N
|
|
chemicalCompound:canonicalS... |
O[C@@H](CC[C@@H]1[C@H](N(C1=O)c2ccc(F)cc2)c3ccc(O)cc3)c4ccc(F)cc4
|
|
chemicalCompound:molecularF... |
C24H21F2NO3
|
|
chemicalCompound:moleculeId |
175106
|
|
chemicalCompound:mwFreebase |
409.425
|
|
chemicalCompound:alogp |
4.633
|
|
chemicalCompound:hba |
3
|
|
chemicalCompound:hbd |
2
|
|
chemicalCompound:psa |
60.77
|
|
chemicalCompound:rtb |
6
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
9.721
|
|
chemicalCompound:acdLogP |
3.959
|
|
chemicalCompound:acdLogD |
3.957
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
409.425
|
|
chemicalCompound:chemblId |
CHEMBL1138
|
|
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 |
EZETIMIBE
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:firstAppro... |
2002
|
|
chemicalCompound:activity |
activity:113836,
activity:113837,
activity:113838,
activity:113839,
activity:113840,
activity:113841,
activity:113842,
activity:113843,
activity:113844,
activity:113845,
activity:113846,
activity:640698,
activity:640699,
activity:640700,
activity:640701,
activity:640702,
activity:640703,
activity:640704,
activity:640705,
activity:670955,
activity:670956,
activity:670957,
activity:748981,
activity:748982,
activity:748983,
activity:781454,
activity:781455,
activity:1609003,
activity:1609004,
activity:1889709,
activity:1889710,
activity:2093718,
activity:2093740,
activity:2093780,
activity:2093788,
activity:2290468,
activity:2290469,
activity:2668835,
activity:2668836,
activity:2668837,
activity:2668838,
activity:4116357,
activity:4937223,
activity:4971950,
activity:5097679,
activity:5097680,
activity:5111702,
activity:5111703,
activity:5111704,
activity:5317375,
activity:5318326,
activity:5319277,
activity:6074840,
activity:7566679,
activity:7566693,
activity:7566760,
activity:7566800,
activity:7566813,
activity:7566879
|
