Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C20H17N9 |
| Molecular Weight | 383.4093 |
| Optical Activity | ( + / - ) |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CN1C=C(C=N1)C2=CN3N=CC=C3C(=N2)C4=CN(N=C4)[C@@]5(CC#N)C[C@@H](C5)C#N
InChI
InChIKey=XPLZTJWZDBFWDE-OYOVHJISSA-N
InChI=1S/C20H17N9/c1-27-11-15(9-24-27)17-13-28-18(2-5-23-28)19(26-17)16-10-25-29(12-16)20(3-4-21)6-14(7-20)8-22/h2,5,9-14H,3,6-7H2,1H3/t14-,20-
| Molecular Formula | C20H17N9 |
| Molecular Weight | 383.4093 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 13:50:24 UTC 2023
by
admin
on
Sat Dec 16 13:50:24 UTC 2023
|
| Record UNII |
HY5SOV7O0Q
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
| Name | Type | Language | ||
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Official Name | English | ||
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Common Name | English | ||
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Systematic Name | English | ||
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Code | English | ||
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Common Name | English | ||
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Code | English | ||
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Systematic Name | English | ||
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Code | English |
| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
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HI-189
Created by
admin on Sat Dec 16 13:50:24 UTC 2023 , Edited by admin on Sat Dec 16 13:50:24 UTC 2023
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PRIMARY | |||
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300000033907
Created by
admin on Sat Dec 16 13:50:24 UTC 2023 , Edited by admin on Sat Dec 16 13:50:24 UTC 2023
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PRIMARY | |||
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C180657
Created by
admin on Sat Dec 16 13:50:24 UTC 2023 , Edited by admin on Sat Dec 16 13:50:24 UTC 2023
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PRIMARY | |||
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HY5SOV7O0Q
Created by
admin on Sat Dec 16 13:50:24 UTC 2023 , Edited by admin on Sat Dec 16 13:50:24 UTC 2023
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PRIMARY | |||
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2127109-84-4
Created by
admin on Sat Dec 16 13:50:24 UTC 2023 , Edited by admin on Sat Dec 16 13:50:24 UTC 2023
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PRIMARY | |||
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11834
Created by
admin on Sat Dec 16 13:50:24 UTC 2023 , Edited by admin on Sat Dec 16 13:50:24 UTC 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
OFF-TARGET->INHIBITOR |
Kd
|
||
|
TARGET -> INHIBITOR |
JH1 Binding site
Kd
|
||
|
OFF-TARGET->INHIBITOR |
Kd
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||
|
OFF-TARGET->INHIBITOR |
Kd
|
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
ACTIVE MOIETY |
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