Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C25H28N6O3 |
Molecular Weight | 460.5282 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 2 / 2 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
CC(C)(O)C1=NC=C(N=C1)N2C[C@@]3(CCC[C@](C)(CN4C=NC5=C4C=C(C=C5)C#N)C3)OC2=O
InChI
InChIKey=URCMKDJBULWNAI-DQEYMECFSA-N
InChI=1S/C25H28N6O3/c1-23(2,33)20-11-28-21(12-27-20)31-15-25(34-22(31)32)8-4-7-24(3,13-25)14-30-16-29-18-6-5-17(10-26)9-19(18)30/h5-6,9,11-12,16,33H,4,7-8,13-15H2,1-3H3/t24-,25-/m0/s1
Molecular Formula | C25H28N6O3 |
Molecular Weight | 460.5282 |
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 10:20:21 GMT 2023
by
admin
on
Sat Dec 16 10:20:21 GMT 2023
|
Record UNII |
63FJ7LF55O
|
Record Status |
Validated (UNII)
|
Record Version |
|
-
Download
Name | Type | Language | ||
---|---|---|---|---|
|
Common Name | English | ||
|
Common Name | English | ||
|
Systematic Name | English |
Code System | Code | Type | Description | ||
---|---|---|---|---|---|
|
CHEMBL3707225
Created by
admin on Sat Dec 16 10:20:21 GMT 2023 , Edited by admin on Sat Dec 16 10:20:21 GMT 2023
|
PRIMARY | |||
|
71227359
Created by
admin on Sat Dec 16 10:20:21 GMT 2023 , Edited by admin on Sat Dec 16 10:20:21 GMT 2023
|
PRIMARY | |||
|
300000018857
Created by
admin on Sat Dec 16 10:20:21 GMT 2023 , Edited by admin on Sat Dec 16 10:20:21 GMT 2023
|
PRIMARY | |||
|
63FJ7LF55O
Created by
admin on Sat Dec 16 10:20:21 GMT 2023 , Edited by admin on Sat Dec 16 10:20:21 GMT 2023
|
PRIMARY | |||
|
1419609-94-1
Created by
admin on Sat Dec 16 10:20:21 GMT 2023 , Edited by admin on Sat Dec 16 10:20:21 GMT 2023
|
PRIMARY |
Related Record | Type | Details | ||
---|---|---|---|---|
|
SOLVATE->ANHYDROUS | |||
|
SALT/SOLVATE -> PARENT |
|
||
|
TARGET -> INHIBITOR |
IC50
|
Related Record | Type | Details | ||
---|---|---|---|---|
|
METABOLITE LESS ACTIVE -> PARENT |
MAJOR
PLASMA; URINE
|
Related Record | Type | Details | ||
---|---|---|---|---|
|
ACTIVE MOIETY |