General Information of the Compound
| Compound ID |
CP0394813
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| Compound Name |
4-(fluoromethyl)-N-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-ylbicyclo[2.2.2]octane-1-carboxamide
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| Structure |
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| Formula |
C27H35FN4O2
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| Molecular Weight |
466.601
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| Canonical SMILES |
Oc1ccccc1N1CCN(CCN(C(=O)C23CCC(CF)(CC2)CC3)c2ccccn2)CC1
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| InChI |
InChI=1S/C27H35FN4O2/c28-21-26-8-11-27(12-9-26,13-10-26)25(34)32(24-7-3-4-14-29-24)20-17-30-15-18-31(19-16-30)22-5-1-2-6-23(22)33/h1-7,14,33H,8-13,15-21H2
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| InChIKey |
PGQULZMDRBKKTE-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