Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C22H23F3N4O3 |
| Molecular Weight | 448.4382 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 4 / 4 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CC1=C2C=CN([C@@H]3C[C@H](OC4=CC(C(F)F)=C(F)C5=C4CNCC5)[C@@H](O)[C@H]3O)C2=NC=N1
InChI
InChIKey=HBGHQRGHFNTSDP-DJABAAGCSA-N
InChI=1S/C22H23F3N4O3/c1-10-11-3-5-29(22(11)28-9-27-10)15-7-17(20(31)19(15)30)32-16-6-13(21(24)25)18(23)12-2-4-26-8-14(12)16/h3,5-6,9,15,17,19-21,26,30-31H,2,4,7-8H2,1H3/t15-,17+,19+,20-/m1/s1
| Molecular Formula | C22H23F3N4O3 |
| Molecular Weight | 448.4382 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 4 / 4 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 14:19:10 UTC 2023
by
admin
on
Sat Dec 16 14:19:10 UTC 2023
|
| Record UNII |
JY9FEZ3ZDX
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
| Name | Type | Language | ||
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Code | English | ||
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Systematic Name | English | ||
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Common Name | English |
| Code System | Code | Type | Description | ||
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C158100
Created by
admin on Sat Dec 16 14:19:10 UTC 2023 , Edited by admin on Sat Dec 16 14:19:10 UTC 2023
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PRIMARY | |||
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2159123-14-3
Created by
admin on Sat Dec 16 14:19:10 UTC 2023 , Edited by admin on Sat Dec 16 14:19:10 UTC 2023
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PRIMARY | |||
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JY9FEZ3ZDX
Created by
admin on Sat Dec 16 14:19:10 UTC 2023 , Edited by admin on Sat Dec 16 14:19:10 UTC 2023
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PRIMARY | |||
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132200405
Created by
admin on Sat Dec 16 14:19:10 UTC 2023 , Edited by admin on Sat Dec 16 14:19:10 UTC 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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TARGET -> INHIBITOR |
COMPETITIVE INHIBITOR
Kd
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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ACTIVE MOIETY |
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