General Information of the Compound
| Compound ID |
CP0078043
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| Compound Name |
2-(2,6-diiodo-4-((2-methylbenzofuran-3-yl)methyl)phenoxy)acetic acid
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| Synonyms |
KB 130015
KB-130015
KB130015
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| Structure |
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| Formula |
C18H14I2O4
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| Molecular Weight |
548.114
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| Canonical SMILES |
Cc1oc2ccccc2c1Cc1cc(I)c(OCC(O)=O)c(I)c1
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| InChI |
InChI=1S/C18H14I2O4/c1-10-13(12-4-2-3-5-16(12)24-10)6-11-7-14(19)18(15(20)8-11)23-9-17(21)22/h2-5,7-8H,6,9H2,1H3,(H,21,22)
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| InChIKey |
OLIKCJUMYWSDIV-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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Clinical Information about the Compound