Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C25H23F6N5O2 |
| Molecular Weight | 539.4728 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 3 / 3 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
C[C@@H](OC[C@]1(CC[C@](CN1)(C#N)N2C=NNC2=O)C3=CC=CC=C3)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F
InChI
InChIKey=ACZWFJDLNLZWDP-ZGNKEGEESA-N
InChI=1S/C25H23F6N5O2/c1-16(17-9-19(24(26,27)28)11-20(10-17)25(29,30)31)38-14-23(18-5-3-2-4-6-18)8-7-22(12-32,13-33-23)36-15-34-35-21(36)37/h2-6,9-11,15-16,33H,7-8,13-14H2,1H3,(H,35,37)/t16-,22-,23-/m1/s1
| Molecular Formula | C25H23F6N5O2 |
| Molecular Weight | 539.4728 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 3 / 3 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sun Dec 18 23:55:54 UTC 2022
by
admin
on
Sun Dec 18 23:55:54 UTC 2022
|
| Record UNII |
Q2B1Q52A8J
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
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Q2B1Q52A8J
Created by
admin on Sun Dec 18 23:55:54 UTC 2022 , Edited by admin on Sun Dec 18 23:55:54 UTC 2022
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873947-10-5
Created by
admin on Sun Dec 18 23:55:54 UTC 2022 , Edited by admin on Sun Dec 18 23:55:54 UTC 2022
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11671080
Created by
admin on Sun Dec 18 23:55:54 UTC 2022 , Edited by admin on Sun Dec 18 23:55:54 UTC 2022
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PRIMARY |
| Related Record | Type | Details | ||
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TARGET -> INHIBITOR |
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TARGET -> INHIBITOR |
ANTAGONIST
Ki
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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ACTIVE MOIETY |
ANTAGONIST
Ki
|
