General Information of the Compound
| Compound ID |
CP0197694
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| Compound Name |
AS-1404
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| Synonyms |
5,6-MeXAA
5,6-dimethylxanthenone-4-acetic acid
AS-1404
ASA-404
DMXAA
R-1564
Vadimezan
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| Structure |
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| Formula |
C17H14O4
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| Molecular Weight |
282.295
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| Canonical SMILES |
Cc1ccc2c(oc3c(CC(O)=O)cccc3c2=O)c1C
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| InChI |
InChI=1S/C17H14O4/c1-9-6-7-13-15(20)12-5-3-4-11(8-14(18)19)17(12)21-16(13)10(9)2/h3-7H,8H2,1-2H3,(H,18,19)
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| InChIKey |
XGOYIMQSIKSOBS-UHFFFAOYSA-N
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| CAS |
117570-53-3
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT05006, Stimulator of interferon genes protein
Protein ID: PT03644, Stimulator of interferon genes protein
Clinical Information about the Compound