Details
Stereochemistry | ACHIRAL |
Molecular Formula | C19H12N2O |
Molecular Weight | 284.3114 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
O=C1C2=C(C=CC=C2)C3=C1C4=C(N=N3)C5=C(CC4)C=CC=C5
InChI
InChIKey=CHTGJTJXFKZQPF-UHFFFAOYSA-N
InChI=1S/C19H12N2O/c22-19-14-8-4-3-7-13(14)18-16(19)15-10-9-11-5-1-2-6-12(11)17(15)20-21-18/h1-8H,9-10H2
Molecular Formula | C19H12N2O |
Molecular Weight | 284.3114 |
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 10:08:00 GMT 2023
by
admin
on
Sat Dec 16 10:08:00 GMT 2023
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Record UNII |
TH6K9M9WMM
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Record Status |
Validated (UNII)
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Record Version |
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-
Download
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Common Name | English | ||
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Systematic Name | English | ||
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Systematic Name | English | ||
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Systematic Name | English |
Code System | Code | Type | Description | ||
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6400996
Created by
admin on Sat Dec 16 10:08:01 GMT 2023 , Edited by admin on Sat Dec 16 10:08:01 GMT 2023
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PRIMARY | |||
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153615-44-2
Created by
admin on Sat Dec 16 10:08:01 GMT 2023 , Edited by admin on Sat Dec 16 10:08:01 GMT 2023
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PRIMARY | |||
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TH6K9M9WMM
Created by
admin on Sat Dec 16 10:08:01 GMT 2023 , Edited by admin on Sat Dec 16 10:08:01 GMT 2023
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PRIMARY |
Related Record | Type | Details | ||
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DERIVATIVE -> PARENT |
Analogue of compound KLB-1 and it?s ability to inhibit growth of PhIP-resistant clones. Molecular weight = 284.32; IC50 PhIP = 17.6 umol/L.
Screening used a derivative of the human colorectal cancer cell line, HCT116, that harbors an additional copy of chromosome 3 to correct for mutL homologue 1 deficiency and microsatellite instability.
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DERIVATIVE -> PARENT |
Analogue of compound KLB-1 and it?s ability to inhibit growth of PhIP-resistant clones. Molecular weight = 258.28; IC50 PhIP = 6.5 umol/L ; Fold difference = 1.2.
Screening used a derivative of the human colorectal cancer cell line, HCT116, that harbors an additional copy of chromosome 3 to correct for mutL homologue 1 deficiency and microsatellite instability.
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||
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DERIVATIVE -> PARENT |
Analogue of compound KLB-1 and it?s ability to inhibit growth of PhIP-resistant clones. Molecular weight = 270.29; IC50 PhIP = 7.7 umol/L.
Screening used a derivative of the human colorectal cancer cell line, HCT116, that harbors an additional copy of chromosome 3 to correct for mutL homologue 1 deficiency and microsatellite instability.
|
||
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DERIVATIVE -> PARENT |
Analogue of compound KLB-1 and it?s ability to inhibit growth of PhIP-resistant clones. Molecular weight = 282.30; IC50 PhIP = 40.0 umol/L ; Fold difference = 17.0.
Screening used a derivative of the human colorectal cancer cell line, HCT116, that harbors an additional copy of chromosome 3 to correct for mutL homologue 1 deficiency and microsatellite instability.
|
||
|
DERIVATIVE -> PARENT |
Analogue of compound KLB-1 and it?s ability to inhibit growth of PhIP-resistant clones. Molecular weight = 272.31; IC50 PhIP = 18.3 umol/L ; Fold difference = 0.9.
Screening used a derivative of the human colorectal cancer cell line, HCT116, that harbors an additional copy of chromosome 3 to correct for mutL homologue 1 deficiency and microsatellite instability.
|