Details
| Stereochemistry | EPIMERIC |
| Molecular Formula | C23H32F3N5O5 |
| Molecular Weight | 515.5259 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 6 / 7 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[H][C@]12CN([C@H](C(=O)N[C@@H](C[C@@H]3CC(O)NC3=O)C#N)[C@@]1([H])C2(C)C)C(=O)[C@@H](NC(=O)C(F)(F)F)C(C)(C)C
InChI
InChIKey=AWSZFCNWIVMPPT-IJIOKDDCSA-N
InChI=1S/C23H32F3N5O5/c1-21(2,3)16(30-20(36)23(24,25)26)19(35)31-9-12-14(22(12,4)5)15(31)18(34)28-11(8-27)6-10-7-13(32)29-17(10)33/h10-16,32H,6-7,9H2,1-5H3,(H,28,34)(H,29,33)(H,30,36)/t10-,11+,12+,13?,14+,15+,16-/m1/s1
| Molecular Formula | C23H32F3N5O5 |
| Molecular Weight | 515.5259 |
| Charge | 0 |
| Count |
|
| Stereochemistry | EPIMERIC |
| Additional Stereochemistry | No |
| Defined Stereocenters | 6 / 7 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 19:18:04 UTC 2023
by
admin
on
Sat Dec 16 19:18:04 UTC 2023
|
| Record UNII |
5C2EJ8H89M
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
| Name | Type | Language | ||
|---|---|---|---|---|
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Code | English | ||
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Common Name | English | ||
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Systematic Name | English |
| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
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5C2EJ8H89M
Created by
admin on Sat Dec 16 19:18:04 UTC 2023 , Edited by admin on Sat Dec 16 19:18:04 UTC 2023
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PRIMARY | |||
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162396445
Created by
admin on Sat Dec 16 19:18:04 UTC 2023 , Edited by admin on Sat Dec 16 19:18:04 UTC 2023
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PRIMARY | |||
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2755812-07-6
Created by
admin on Sat Dec 16 19:18:04 UTC 2023 , Edited by admin on Sat Dec 16 19:18:04 UTC 2023
|
PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
|
TARGET ORGANISM->INHIBITOR |
Epithelial Vero E6 cells; EC50 Nirmatrelvir = 74.5
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TARGET -> INHIBITOR |
Ki
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| Related Record | Type | Details | ||
|---|---|---|---|---|
|
PARENT -> METABOLITE LESS ACTIVE |
Epithelial Vero E6 cells;EC50 = 694 EC50 Nirmatrelvir = 74.5
MAJOR
EC50
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