Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C17H19N5O2 |
| Molecular Weight | 325.3651 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
N[C@@H]1CCCN(C1)C2=CC(=O)NC(=O)N2CC3=C(C=CC=C3)C#N
InChI
InChIKey=KYXUNUKTHMZSLE-CQSZACIVSA-N
InChI=1S/C17H19N5O2/c18-9-12-4-1-2-5-13(12)10-22-16(8-15(23)20-17(22)24)21-7-3-6-14(19)11-21/h1-2,4-5,8,14H,3,6-7,10-11,19H2,(H,20,23,24)/t14-/m1/s1
| Molecular Formula | C17H19N5O2 |
| Molecular Weight | 325.3651 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 14:52:44 UTC 2023
by
admin
on
Sat Dec 16 14:52:44 UTC 2023
|
| Record UNII |
625UXD6CJI
|
| Record Status |
Validated (UNII)
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| Record Version |
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-
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| Code System | Code | Type | Description | ||
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865758-98-1
Created by
admin on Sat Dec 16 14:52:45 UTC 2023 , Edited by admin on Sat Dec 16 14:52:45 UTC 2023
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PRIMARY | |||
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625UXD6CJI
Created by
admin on Sat Dec 16 14:52:45 UTC 2023 , Edited by admin on Sat Dec 16 14:52:45 UTC 2023
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PRIMARY | |||
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11278798
Created by
admin on Sat Dec 16 14:52:45 UTC 2023 , Edited by admin on Sat Dec 16 14:52:45 UTC 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
TARGET -> INHIBITOR |
IC50
|
||
|
RACEMATE -> ENANTIOMER |
|
![Structure of 2-[[6-[(3S)-3-Amino-1-piperidinyl]-3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl]methyl]benzonitrile](/img/b0c3be73-71d5-4da6-ad12-c94e2c193b49.svg "Structure of 2-[[6-[(3S)-3-Amino-1-piperidinyl]-3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl]methyl]benzonitrile")
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
PARENT -> METABOLITE ACTIVE |
MINOR
|
