General Information of the Compound
| Compound ID |
CP0117460
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| Compound Name |
US8614253, 29-20
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| Structure |
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| Formula |
C18H12O4
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| Molecular Weight |
292.29
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| Canonical SMILES |
OC(=O)c1ccc(cc1)-c1ccc2c(C=O)c(O)ccc2c1
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| InChI |
InChI=1S/C18H12O4/c19-10-16-15-7-5-13(9-14(15)6-8-17(16)20)11-1-3-12(4-2-11)18(21)22/h1-10,20H,(H,21,22)
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| InChIKey |
NYTMHTDFDUVCTK-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