Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C22H22F3N5O2 |
| Molecular Weight | 445.4376 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CN1CCN(CC1)C2=CC3=C(C=C(C=C3NCC4=CC(=CC=C4)[N+]([O-])=O)C(F)(F)F)N=C2
InChI
InChIKey=JIYPGFPFAVEPFX-UHFFFAOYSA-N
InChI=1S/C22H22F3N5O2/c1-28-5-7-29(8-6-28)18-12-19-20(10-16(22(23,24)25)11-21(19)27-14-18)26-13-15-3-2-4-17(9-15)30(31)32/h2-4,9-12,14,26H,5-8,13H2,1H3
| Molecular Formula | C22H22F3N5O2 |
| Molecular Weight | 445.4376 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 19:36:36 UTC 2023
by
admin
on
Sat Dec 16 19:36:36 UTC 2023
|
| Record UNII |
PMR8E5X493
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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Code | English |
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50997095
Created by
admin on Sat Dec 16 19:36:36 UTC 2023 , Edited by admin on Sat Dec 16 19:36:36 UTC 2023
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1268264-10-3
Created by
admin on Sat Dec 16 19:36:36 UTC 2023 , Edited by admin on Sat Dec 16 19:36:36 UTC 2023
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PRIMARY | |||
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PMR8E5X493
Created by
admin on Sat Dec 16 19:36:36 UTC 2023 , Edited by admin on Sat Dec 16 19:36:36 UTC 2023
|
PRIMARY |
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LABELED -> NON-LABELED |
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TARGET -> INHIBITOR |
IC50
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OFF-TARGET->INHIBITOR |
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ACTIVE MOIETY |
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