Details
Stereochemistry | ACHIRAL |
Molecular Formula | C14H10Br2N2O3 |
Molecular Weight | 414.049 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
OC1=C(Br)C=C(C=C1Br)C(=O)N2CCOC3=CC=NC=C23
InChI
InChIKey=ZMVGQIIOXCGAFV-UHFFFAOYSA-N
InChI=1S/C14H10Br2N2O3/c15-9-5-8(6-10(16)13(9)19)14(20)18-3-4-21-12-1-2-17-7-11(12)18/h1-2,5-7,19H,3-4H2
Molecular Formula | C14H10Br2N2O3 |
Molecular Weight | 414.049 |
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
Sat Dec 16 14:51:39 UTC 2023
by
admin
on
Sat Dec 16 14:51:39 UTC 2023
|
Record UNII |
0YP1ME85GH
|
Record Status |
Validated (UNII)
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Record Version |
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-
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Official Name | English | ||
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Systematic Name | English | ||
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Common Name | English | ||
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Systematic Name | English | ||
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Code | English |
Code System | Code | Type | Description | ||
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C166441
Created by
admin on Sat Dec 16 14:51:39 UTC 2023 , Edited by admin on Sat Dec 16 14:51:39 UTC 2023
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PRIMARY | |||
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10723
Created by
admin on Sat Dec 16 14:51:39 UTC 2023 , Edited by admin on Sat Dec 16 14:51:39 UTC 2023
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1198153-15-9
Created by
admin on Sat Dec 16 14:51:39 UTC 2023 , Edited by admin on Sat Dec 16 14:51:39 UTC 2023
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100000181109
Created by
admin on Sat Dec 16 14:51:39 UTC 2023 , Edited by admin on Sat Dec 16 14:51:39 UTC 2023
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PRIMARY | |||
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44608229
Created by
admin on Sat Dec 16 14:51:39 UTC 2023 , Edited by admin on Sat Dec 16 14:51:39 UTC 2023
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PRIMARY | |||
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0YP1ME85GH
Created by
admin on Sat Dec 16 14:51:39 UTC 2023 , Edited by admin on Sat Dec 16 14:51:39 UTC 2023
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PRIMARY |
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TARGET -> INHIBITOR |
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OFF-TARGET->INHIBITOR |
PAH uptake by HEK293 cells transiently expressing OAT1
WEAK INHIBITOR
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OFF-TARGET->INHIBITOR |
PAH uptake by HEK293 cells transiently expressing OAT3
WEAK INHIBITOR
Ki
|
Related Record | Type | Details | ||
---|---|---|---|---|
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ACTIVE MOIETY |