Details
| Stereochemistry | RACEMIC |
| Molecular Formula | C25H23N5O2S |
| Molecular Weight | 457.547 |
| Optical Activity | ( + / - ) |
| Defined Stereocenters | 0 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
N#CC(C1=NC2=C(S1)C=CC=C2)C3=CC=NC(OCC4=CC=C(CN5CCOCC5)C=C4)=N3
InChI
InChIKey=XCPPIJCBCWUBNT-UHFFFAOYSA-N
InChI=1S/C25H23N5O2S/c26-15-20(24-28-22-3-1-2-4-23(22)33-24)21-9-10-27-25(29-21)32-17-19-7-5-18(6-8-19)16-30-11-13-31-14-12-30/h1-10,20H,11-14,16-17H2
| Molecular Formula | C25H23N5O2S |
| Molecular Weight | 457.547 |
| Charge | 0 |
| Count |
|
| Stereochemistry | RACEMIC |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 1 |
| E/Z Centers | 0 |
| Optical Activity | ( + / - ) |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 16:30:58 UTC 2023
by
admin
on
Fri Dec 15 16:30:58 UTC 2023
|
| Record UNII |
TT3L4B4U0N
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
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Code | English |
| Classification Tree | Code System | Code | ||
|---|---|---|---|---|
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NCI_THESAURUS |
C2149
Created by
admin on Fri Dec 15 16:30:58 UTC 2023 , Edited by admin on Fri Dec 15 16:30:58 UTC 2023
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| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
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TT3L4B4U0N
Created by
admin on Fri Dec 15 16:30:58 UTC 2023 , Edited by admin on Fri Dec 15 16:30:58 UTC 2023
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848344-36-5
Created by
admin on Fri Dec 15 16:30:58 UTC 2023 , Edited by admin on Fri Dec 15 16:30:58 UTC 2023
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8919
Created by
admin on Fri Dec 15 16:30:58 UTC 2023 , Edited by admin on Fri Dec 15 16:30:58 UTC 2023
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10195250
Created by
admin on Fri Dec 15 16:30:58 UTC 2023 , Edited by admin on Fri Dec 15 16:30:58 UTC 2023
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DTXSID401005116
Created by
admin on Fri Dec 15 16:30:58 UTC 2023 , Edited by admin on Fri Dec 15 16:30:58 UTC 2023
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CHEMBL3545213
Created by
admin on Fri Dec 15 16:30:58 UTC 2023 , Edited by admin on Fri Dec 15 16:30:58 UTC 2023
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300000036960
Created by
admin on Fri Dec 15 16:30:58 UTC 2023 , Edited by admin on Fri Dec 15 16:30:58 UTC 2023
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PRIMARY | |||
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C87441
Created by
admin on Fri Dec 15 16:30:58 UTC 2023 , Edited by admin on Fri Dec 15 16:30:58 UTC 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
TARGET -> INHIBITOR |
IC50
|
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|
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ENANTIOMER -> RACEMATE |
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TARGET -> INHIBITOR |
IC50
|
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TARGET -> INHIBITOR |
IC50
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ENANTIOMER -> RACEMATE |
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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ACTIVE MOIETY |
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