Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C18H17F4N3O3 |
| Molecular Weight | 399.3395 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
NCC1=CC(=NC(OC2=CC(=CC=C2)C(=O)N3C[C@@H](O)[C@H](F)C3)=C1)C(F)(F)F
InChI
InChIKey=ODGXXYXJORZPHE-ZIAGYGMSSA-N
InChI=1S/C18H17F4N3O3/c19-13-8-25(9-14(13)26)17(27)11-2-1-3-12(6-11)28-16-5-10(7-23)4-15(24-16)18(20,21)22/h1-6,13-14,26H,7-9,23H2/t13-,14-/m1/s1
| Molecular Formula | C18H17F4N3O3 |
| Molecular Weight | 399.3395 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 17:28:17 UTC 2023
by
admin
on
Sat Dec 16 17:28:17 UTC 2023
|
| Record UNII |
Y3HMF6G24B
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
| Name | Type | Language | ||
|---|---|---|---|---|
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Official Name | English | ||
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Systematic Name | English | ||
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Common Name | English | ||
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Code | English | ||
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Systematic Name | English |
| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
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2098884-52-5
Created by
admin on Sat Dec 16 17:28:18 UTC 2023 , Edited by admin on Sat Dec 16 17:28:18 UTC 2023
|
PRIMARY | |||
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300000028791
Created by
admin on Sat Dec 16 17:28:18 UTC 2023 , Edited by admin on Sat Dec 16 17:28:18 UTC 2023
|
PRIMARY | |||
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Y3HMF6G24B
Created by
admin on Sat Dec 16 17:28:18 UTC 2023 , Edited by admin on Sat Dec 16 17:28:18 UTC 2023
|
PRIMARY | |||
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C160691
Created by
admin on Sat Dec 16 17:28:18 UTC 2023 , Edited by admin on Sat Dec 16 17:28:18 UTC 2023
|
PRIMARY | NCIT | ||
|
12466
Created by
admin on Sat Dec 16 17:28:18 UTC 2023 , Edited by admin on Sat Dec 16 17:28:18 UTC 2023
|
PRIMARY | |||
|
122536283
Created by
admin on Sat Dec 16 17:28:18 UTC 2023 , Edited by admin on Sat Dec 16 17:28:18 UTC 2023
|
PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
|
TARGET -> INHIBITOR |
In conditioned media
IC50
|
||
|
TARGET -> INHIBITOR |
in the presence of blood
IC50
|
||
|
SALT/SOLVATE -> PARENT |
|
||
|
SALT/SOLVATE -> PARENT |
|
||
|
|
TARGET -> INHIBITOR |
IC50
|
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
ACTIVE MOIETY |
|
