General Information of the Compound
| Compound ID |
CP0121744
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| Compound Name |
3-{[4-(2-aminoethoxy)-3,5-diiodophenyl]carbonyl}-2-butyl-1-benzofuran
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| Structure |
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| Formula |
C21H21I2NO3
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| Molecular Weight |
589.211
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| Canonical SMILES |
CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN)c(I)c1
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| InChI |
InChI=1S/C21H21I2NO3/c1-2-3-7-18-19(14-6-4-5-8-17(14)27-18)20(25)13-11-15(22)21(16(23)12-13)26-10-9-24/h4-6,8,11-12H,2-3,7,9-10,24H2,1H3
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| InChIKey |
ZOCLVGHDXBVATF-UHFFFAOYSA-N
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| CAS |
94317-95-0
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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