General Information of the Compound
| Compound ID |
CP0377045
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| Compound Name |
(E)-3-(3-iodo-4,5-dimethoxyphenyl)-1-naphthalen-2-ylprop-2-en-1-one
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| Structure |
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| Formula |
C21H17IO3
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| Molecular Weight |
444.268
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| Canonical SMILES |
COc1cc(\C=C\C(=O)c2ccc3ccccc3c2)cc(I)c1OC
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| InChI |
InChI=1S/C21H17IO3/c1-24-20-12-14(11-18(22)21(20)25-2)7-10-19(23)17-9-8-15-5-3-4-6-16(15)13-17/h3-13H,1-2H3/b10-7+
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| InChIKey |
OOCLSYBZQFWYMX-JXMROGBWSA-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