Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C17H13F4N7O |
| Molecular Weight | 407.325 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
C[C@H]1CC2=C(CN1C(=O)C3=C(F)C(=NC=C3)C(F)(F)F)N=NN2C4=NC=CC=N4
InChI
InChIKey=ZRKGUMQBQFCLSZ-VIFPVBQESA-N
InChI=1S/C17H13F4N7O/c1-9-7-12-11(25-26-28(12)16-23-4-2-5-24-16)8-27(9)15(29)10-3-6-22-14(13(10)18)17(19,20)21/h2-6,9H,7-8H2,1H3/t9-/m0/s1
| Molecular Formula | C17H13F4N7O |
| Molecular Weight | 407.325 |
| 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 13:53:44 UTC 2023
by
admin
on
Sat Dec 16 13:53:44 UTC 2023
|
| Record UNII |
S02R2AF9AV
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
| Name | Type | Language | ||
|---|---|---|---|---|
|
Code | English |
| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
|
135390925
Created by
admin on Sat Dec 16 13:53:44 UTC 2023 , Edited by admin on Sat Dec 16 13:53:44 UTC 2023
|
PRIMARY | |||
|
S02R2AF9AV
Created by
admin on Sat Dec 16 13:53:44 UTC 2023 , Edited by admin on Sat Dec 16 13:53:44 UTC 2023
|
PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
BINDER->LIGAND |
BINDING
|
||
|
TARGET -> INHIBITOR |
BINDING
IC50
|
||
|
TARGET -> INHIBITOR |
BINDING
Ki
|
| Name | Property Type | Amount | Referenced Substance | Defining | Parameters | References |
|---|---|---|---|---|---|---|
| CSF/PLASMA RATIO | PHARMACOKINETIC |
|