Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C23H26F3N6OP |
| Molecular Weight | 490.4611 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CC1(C)CC[C@@H](CN1)NC2=NC=C(C(=N2)C3=CNC4=C3C=CC(C#N)=C4P(C)(C)=O)C(F)(F)F
InChI
InChIKey=JDJOUBVVSQDIRC-AWEZNQCLSA-N
InChI=1S/C23H26F3N6OP/c1-22(2)8-7-14(10-30-22)31-21-29-12-17(23(24,25)26)18(32-21)16-11-28-19-15(16)6-5-13(9-27)20(19)34(3,4)33/h5-6,11-12,14,28,30H,7-8,10H2,1-4H3,(H,29,31,32)/t14-/m0/s1
| Molecular Formula | C23H26F3N6OP |
| Molecular Weight | 490.4611 |
| 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 15:17:34 GMT 2023
by
admin
on
Sat Dec 16 15:17:34 GMT 2023
|
| Record UNII |
TW6044C3O6
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
| Name | Type | Language | ||
|---|---|---|---|---|
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Code | English | ||
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Systematic Name | English | ||
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Common Name | English | ||
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Code | English |
| Classification Tree | Code System | Code | ||
|---|---|---|---|---|
|
FDA ORPHAN DRUG |
898122
Created by
admin on Sat Dec 16 15:17:35 GMT 2023 , Edited by admin on Sat Dec 16 15:17:35 GMT 2023
|
| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
|
146662729
Created by
admin on Sat Dec 16 15:17:35 GMT 2023 , Edited by admin on Sat Dec 16 15:17:35 GMT 2023
|
PRIMARY | |||
|
TW6044C3O6
Created by
admin on Sat Dec 16 15:17:35 GMT 2023 , Edited by admin on Sat Dec 16 15:17:35 GMT 2023
|
PRIMARY | |||
|
2417302-07-7
Created by
admin on Sat Dec 16 15:17:35 GMT 2023 , Edited by admin on Sat Dec 16 15:17:35 GMT 2023
|
PRIMARY |
| Related Record | Type | Details | ||
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|
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TARGET -> INHIBITOR |
SPR assay. Slow dissassociation
Kd
|
||
|
TARGET -> INHIBITOR |
CDK7/CycH/MAT1 below assay limit
|
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
|
ACTIVE MOIETY |
|
