General Information of the Compound
| Compound ID |
CP0500019
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| Compound Name |
4-Iodo-N-(2-(4-(2-methoxyphenyl)piperazin-1-yl)ethyl)-N-(pyridin-2-yl)bicyclo[2.2.2]octane-1-carboxamide
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| Structure |
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| Formula |
C27H35IN4O2
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| Molecular Weight |
574.507
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| Canonical SMILES |
COc1ccccc1N1CCN(CCN(C(=O)C23CCC(I)(CC2)CC3)c2ccccn2)CC1
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| InChI |
InChI=1S/C27H35IN4O2/c1-34-23-7-3-2-6-22(23)31-19-16-30(17-20-31)18-21-32(24-8-4-5-15-29-24)25(33)26-9-12-27(28,13-10-26)14-11-26/h2-8,15H,9-14,16-21H2,1H3
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| InChIKey |
XWRMPFWJQSYTJH-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