Details
Stereochemistry | ACHIRAL |
Molecular Formula | C22H22F3N3O3 |
Molecular Weight | 433.4236 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
CC1=NC2=C(C=C(C=C2C(O)=O)N3CCOCC3)N1CC4=CC=CC(=C4C)C(F)(F)F
InChI
InChIKey=XTKLTGBKIDQGQL-UHFFFAOYSA-N
InChI=1S/C22H22F3N3O3/c1-13-15(4-3-5-18(13)22(23,24)25)12-28-14(2)26-20-17(21(29)30)10-16(11-19(20)28)27-6-8-31-9-7-27/h3-5,10-11H,6-9,12H2,1-2H3,(H,29,30)
Molecular Formula | C22H22F3N3O3 |
Molecular Weight | 433.4236 |
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
Fri Dec 15 15:15:38 UTC 2023
by
admin
on
Fri Dec 15 15:15:38 UTC 2023
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Record UNII |
DW94IAT0LS
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Record Status |
Validated (UNII)
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Record Version |
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-
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DB11795
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CHEMBL3188551
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C106261
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300000034864
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56949517
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DW94IAT0LS
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DTXSID10160124
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1372540-25-4
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admin on Fri Dec 15 15:15:38 UTC 2023 , Edited by admin on Fri Dec 15 15:15:38 UTC 2023
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Related Record | Type | Details | ||
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SALT/SOLVATE -> PARENT |
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TARGET -> INHIBITOR |
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TARGET -> INHIBITOR |
IC50
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