Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C23H25N7O4S |
| Molecular Weight | 495.554 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
COC1=CC(=CC(OC)=C1OC)N2C=NC(NC3=C4C=CSC4=NC(=N3)N5CCC[C@H]5C(N)=O)=C2
InChI
InChIKey=PXXZTNQODJJFFP-HNNXBMFYSA-N
InChI=1S/C23H25N7O4S/c1-32-16-9-13(10-17(33-2)19(16)34-3)29-11-18(25-12-29)26-21-14-6-8-35-22(14)28-23(27-21)30-7-4-5-15(30)20(24)31/h6,8-12,15H,4-5,7H2,1-3H3,(H2,24,31)(H,26,27,28)/t15-/m0/s1
| Molecular Formula | C23H25N7O4S |
| Molecular Weight | 495.554 |
| 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 14:58:16 GMT 2023
by
admin
on
Sat Dec 16 14:58:16 GMT 2023
|
| Record UNII |
TIN5O0W1AY
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
| Name | Type | Language | ||
|---|---|---|---|---|
|
Code | English | ||
|
Systematic Name | English | ||
|
Common Name | English |
| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
|
137363247
Created by
admin on Sat Dec 16 14:58:17 GMT 2023 , Edited by admin on Sat Dec 16 14:58:17 GMT 2023
|
PRIMARY | |||
|
TIN5O0W1AY
Created by
admin on Sat Dec 16 14:58:17 GMT 2023 , Edited by admin on Sat Dec 16 14:58:17 GMT 2023
|
PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
TARGET -> INHIBITOR |
inhibitor of both mutated ALK2 and wild type (wt)ALK2
|
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
ACTIVE MOIETY |
|
