General Information of the Compound
| Compound ID |
CP0419202
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| Compound Name |
4,17-dioxo-3,18-dioxatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),5,8,10,12,15-heptaene-5,16-dicarboxylic acid
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| Structure |
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| Formula |
C18H8O8
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| Molecular Weight |
352.254
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| Canonical SMILES |
OC(=O)c1cc2c3ccccc3c3cc(C(O)=O)c(=O)oc3c2oc1=O
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| InChI |
InChI=1S/C18H8O8/c19-15(20)11-5-9-7-3-1-2-4-8(7)10-6-12(16(21)22)18(24)26-14(10)13(9)25-17(11)23/h1-6H,(H,19,20)(H,21,22)
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| InChIKey |
QSWXFGCBRFIKCD-UHFFFAOYSA-N
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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: PT03308, G-protein coupled receptor 35