Details
Stereochemistry | ACHIRAL |
Molecular Formula | C18H12N2O |
Molecular Weight | 272.3007 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
CC1=C(C=CC=C1)C2=CC3=C(N=N2)C4=C(C=CC=C4)C3=O
InChI
InChIKey=KKPUXQRFWHNBLA-UHFFFAOYSA-N
InChI=1S/C18H12N2O/c1-11-6-2-3-7-12(11)16-10-15-17(20-19-16)13-8-4-5-9-14(13)18(15)21/h2-10H,1H3
Molecular Formula | C18H12N2O |
Molecular Weight | 272.3007 |
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 09:34:43 GMT 2023
by
admin
on
Sat Dec 16 09:34:43 GMT 2023
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Record UNII |
ZB7D2N4DQQ
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Record Status |
Validated (UNII)
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Record Version |
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-
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DTXSID001228425
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147508-61-0
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admin on Sat Dec 16 09:34:43 GMT 2023 , Edited by admin on Sat Dec 16 09:34:43 GMT 2023
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ZB7D2N4DQQ
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2769183
Created by
admin on Sat Dec 16 09:34:43 GMT 2023 , Edited by admin on Sat Dec 16 09:34:43 GMT 2023
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Related Record | Type | Details | ||
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PARENT -> DERIVATIVE |
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.
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