Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C31H31FN8O3 |
| Molecular Weight | 582.628 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 1 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CCOC1=C(NC(=O)C(\F)=C\[C@H]2CCCN2C)C=C3C(NC4=CC=C(OC5=CC6=NC=NN6C=C5)C(C)=C4)=NC=NC3=C1
InChI
InChIKey=HTAMCULFUCGZAM-FKYOTISTSA-N
InChI=1S/C31H31FN8O3/c1-4-42-28-16-25-23(15-26(28)38-31(41)24(32)13-21-6-5-10-39(21)3)30(35-17-33-25)37-20-7-8-27(19(2)12-20)43-22-9-11-40-29(14-22)34-18-36-40/h7-9,11-18,21H,4-6,10H2,1-3H3,(H,38,41)(H,33,35,37)/b24-13-/t21-/m1/s1
| Molecular Formula | C31H31FN8O3 |
| Molecular Weight | 582.628 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 1 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 18:22:42 UTC 2023
by
admin
on
Sat Dec 16 18:22:42 UTC 2023
|
| Record UNII |
EP2QR4P7ZL
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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2364326-23-6
Created by
admin on Sat Dec 16 18:22:42 UTC 2023 , Edited by admin on Sat Dec 16 18:22:42 UTC 2023
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137535407
Created by
admin on Sat Dec 16 18:22:42 UTC 2023 , Edited by admin on Sat Dec 16 18:22:42 UTC 2023
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C187032
Created by
admin on Sat Dec 16 18:22:42 UTC 2023 , Edited by admin on Sat Dec 16 18:22:42 UTC 2023
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EP2QR4P7ZL
Created by
admin on Sat Dec 16 18:22:42 UTC 2023 , Edited by admin on Sat Dec 16 18:22:42 UTC 2023
|
PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
|
TARGET -> INHIBITOR |
IRREVERSIBLE INHIBITOR
IC50
|
||
|
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TARGET -> INHIBITOR |
+/- 0.14
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TARGET -> INHIBITOR |
IC50
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OFF-TARGET->INHIBITOR |
IC50
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|
TARGET -> INHIBITOR |
IC50
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| Related Record | Type | Details | ||
|---|---|---|---|---|
|
ACTIVE MOIETY |
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