Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C22H27NO6 |
| Molecular Weight | 401.4529 |
| Optical Activity | ( + ) |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
COCCCOC1=CC2=C(C=C1OC)C3=CC(=O)C(=CN3[C@@H](C2)C(C)C)C(O)=O
InChI
InChIKey=KBXLMOYQNDMHQT-KRWDZBQOSA-N
InChI=1S/C22H27NO6/c1-13(2)17-8-14-9-21(29-7-5-6-27-3)20(28-4)10-15(14)18-11-19(24)16(22(25)26)12-23(17)18/h9-13,17H,5-8H2,1-4H3,(H,25,26)/t17-/m0/s1
| Molecular Formula | C22H27NO6 |
| Molecular Weight | 401.4529 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 19:15:24 UTC 2023
by
admin
on
Sat Dec 16 19:15:24 UTC 2023
|
| Record UNII |
56JM4WYS8E
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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56JM4WYS8E
Created by
admin on Sat Dec 16 19:15:24 UTC 2023 , Edited by admin on Sat Dec 16 19:15:24 UTC 2023
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118261815
Created by
admin on Sat Dec 16 19:15:24 UTC 2023 , Edited by admin on Sat Dec 16 19:15:24 UTC 2023
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2072057-17-9
Created by
admin on Sat Dec 16 19:15:24 UTC 2023 , Edited by admin on Sat Dec 16 19:15:24 UTC 2023
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PRIMARY |
| Related Record | Type | Details | ||
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TARGET -> INHIBITOR |
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TARGET ORGANISM->INHIBITOR |
HBV DNA. Highly selective for HBV.
IC50
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ACTIVE MOIETY |
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