Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C18H22F3N7O |
| Molecular Weight | 409.4088 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
C[C@H]1CCN1C2=NC(=CC(=N2)C(F)(F)F)C3=CN(CC(=O)N4CCNCC4)N=C3
InChI
InChIKey=HAUDFIFEGDNKJX-LBPRGKRZSA-N
InChI=1S/C18H22F3N7O/c1-12-2-5-28(12)17-24-14(8-15(25-17)18(19,20)21)13-9-23-27(10-13)11-16(29)26-6-3-22-4-7-26/h8-10,12,22H,2-7,11H2,1H3/t12-/m0/s1
| Molecular Formula | C18H22F3N7O |
| Molecular Weight | 409.4088 |
| 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
Wed Apr 02 07:50:20 GMT 2025
by
admin
on
Wed Apr 02 07:50:20 GMT 2025
|
| Record UNII |
7CGD89QSX8
|
| Record Status |
Validated (UNII)
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| Record Version |
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-
Download
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Preferred Name | English | ||
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Code | English | ||
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Systematic Name | English |
| Code System | Code | Type | Description | ||
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155385439
Created by
admin on Wed Apr 02 07:50:20 GMT 2025 , Edited by admin on Wed Apr 02 07:50:20 GMT 2025
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2568608-48-8
Created by
admin on Wed Apr 02 07:50:20 GMT 2025 , Edited by admin on Wed Apr 02 07:50:20 GMT 2025
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PRIMARY | |||
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7CGD89QSX8
Created by
admin on Wed Apr 02 07:50:20 GMT 2025 , Edited by admin on Wed Apr 02 07:50:20 GMT 2025
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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TARGET -> INHIBITOR |
IC50
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OFF TARGET->NON-INHIBITOR |
14% inhibition at 10 micromolar
BINDING
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TARGET -> INHIBITOR |
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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ACTIVE MOIETY |
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