Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C25H32N8O |
| Molecular Weight | 460.5746 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CNC(=O)C1=NN(C)C2=C1C(C)(C)CC3=C2N=C(NC4=CC=C(C=C4)N5CCN(C)CC5)N=C3
InChI
InChIKey=RXZMYLDMFYNEIM-UHFFFAOYSA-N
InChI=1S/C25H32N8O/c1-25(2)14-16-15-27-24(29-20(16)22-19(25)21(23(34)26-3)30-32(22)5)28-17-6-8-18(9-7-17)33-12-10-31(4)11-13-33/h6-9,15H,10-14H2,1-5H3,(H,26,34)(H,27,28,29)
| Molecular Formula | C25H32N8O |
| Molecular Weight | 460.5746 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 16:21:31 UTC 2023
by
admin
on
Fri Dec 15 16:21:31 UTC 2023
|
| Record UNII |
688000M8S8
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
| Name | Type | Language | ||
|---|---|---|---|---|
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Official Name | English | ||
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Code | English | ||
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Systematic Name | English | ||
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Code | English | ||
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Common Name | English |
| Classification Tree | Code System | Code | ||
|---|---|---|---|---|
|
NCI_THESAURUS |
C2185
Created by
admin on Fri Dec 15 16:21:32 UTC 2023 , Edited by admin on Fri Dec 15 16:21:32 UTC 2023
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| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
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100000176351
Created by
admin on Fri Dec 15 16:21:32 UTC 2023 , Edited by admin on Fri Dec 15 16:21:32 UTC 2023
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PRIMARY | |||
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CHEMBL564829
Created by
admin on Fri Dec 15 16:21:32 UTC 2023 , Edited by admin on Fri Dec 15 16:21:32 UTC 2023
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DTXSID80230186
Created by
admin on Fri Dec 15 16:21:32 UTC 2023 , Edited by admin on Fri Dec 15 16:21:32 UTC 2023
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16718576
Created by
admin on Fri Dec 15 16:21:32 UTC 2023 , Edited by admin on Fri Dec 15 16:21:32 UTC 2023
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PRIMARY | |||
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9443
Created by
admin on Fri Dec 15 16:21:32 UTC 2023 , Edited by admin on Fri Dec 15 16:21:32 UTC 2023
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PRIMARY | |||
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688000M8S8
Created by
admin on Fri Dec 15 16:21:32 UTC 2023 , Edited by admin on Fri Dec 15 16:21:32 UTC 2023
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PRIMARY | |||
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802539-81-7
Created by
admin on Fri Dec 15 16:21:32 UTC 2023 , Edited by admin on Fri Dec 15 16:21:32 UTC 2023
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PRIMARY | |||
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C148410
Created by
admin on Fri Dec 15 16:21:32 UTC 2023 , Edited by admin on Fri Dec 15 16:21:32 UTC 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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BINDER->LIGAND |
BINDING
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TARGET -> INHIBITOR |
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SALT/SOLVATE -> PARENT | |||
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METABOLIC ENZYME -> NON-SUBSTRATE |
high stability to human CYP4503A4 (85% remaining)
|
||
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TARGET -> INHIBITOR |
IC50
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| Related Record | Type | Details | ||
|---|---|---|---|---|
|
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ACTIVE MOIETY |
