Details
| Stereochemistry | RACEMIC |
| Molecular Formula | C24H23N5O2 |
| Molecular Weight | 413.4717 |
| Optical Activity | ( + / - ) |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O[C@@H]1CC[C@](C1)(C#N)C2=CC=C(NC(=O)C3=CC=CN=C3NCC4=CC=NC=C4)C=C2
InChI
InChIKey=PIRKQCNHXCEZRZ-YKSBVNFPSA-N
InChI=1S/C24H23N5O2/c25-16-24(10-7-20(30)14-24)18-3-5-19(6-4-18)29-23(31)21-2-1-11-27-22(21)28-15-17-8-12-26-13-9-17/h1-6,8-9,11-13,20,30H,7,10,14-15H2,(H,27,28)(H,29,31)/t20-,24+/m1/s1
| Molecular Formula | C24H23N5O2 |
| Molecular Weight | 413.4717 |
| 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
Thu Jul 06 22:50:58 UTC 2023
by
admin
on
Thu Jul 06 22:50:58 UTC 2023
|
| Record UNII |
WD3N2P38NO
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
| Name | Type | Language | ||
|---|---|---|---|---|
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Common Name | English | ||
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Systematic Name | English | ||
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Common Name | English |
| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
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WD3N2P38NO
Created by
admin on Thu Jul 06 22:50:58 UTC 2023 , Edited by admin on Thu Jul 06 22:50:58 UTC 2023
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PRIMARY | |||
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71664674
Created by
admin on Thu Jul 06 22:50:58 UTC 2023 , Edited by admin on Thu Jul 06 22:50:58 UTC 2023
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PRIMARY | |||
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1376710-38-1
Created by
admin on Thu Jul 06 22:50:58 UTC 2023 , Edited by admin on Thu Jul 06 22:50:58 UTC 2023
|
PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
TARGET -> INHIBITOR |
IC50
|
||
|
BINDER->LIGAND |
BINDING
|
||
|
TARGET -> INHIBITOR |
IC50
|
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
PARENT -> METABOLITE |
MAJOR
PLASMA
|
||
|
PARENT -> METABOLITE |
FECAL
|
||
|
PARENT -> METABOLITE |
URINE
|
| Name | Property Type | Amount | Referenced Substance | Defining | Parameters | References |
|---|---|---|---|---|---|---|
| Biological Half-life | PHARMACOKINETIC |
|
AT DAY 28 |
|
||
| Tmax | PHARMACOKINETIC |
|
DOSE |
|
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