General Information of the Compound
| Compound ID |
CP0871670
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| Compound Name |
3-(4-(Benzyloxy)-3-iodophenyl)propanoic acid
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| Structure |
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| Formula |
C16H15IO3
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| Molecular Weight |
382.197
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| Canonical SMILES |
O=C(O)CCc1ccc(OCc2ccccc2)c(I)c1
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| InChI |
InChI=1S/C16H15IO3/c17-14-10-12(7-9-16(18)19)6-8-15(14)20-11-13-4-2-1-3-5-13/h1-6,8,10H,7,9,11H2,(H,18,19)
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| InChIKey |
NPVMJGNBWGBAQN-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