General Information of the Compound
| Compound ID |
CP0048080
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| Compound Name |
(3-(2-Fluorethoxy)-2-methoxyphenyl)-(1-(2-p-nitrophenylethyl)-piperidine-4-yl)-methanol
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| Structure |
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| Formula |
C23H29FN2O5
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| Molecular Weight |
432.492
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| Canonical SMILES |
COc1c(OCCF)cccc1C(O)C1CCN(CCc2ccc(cc2)[N+]([O-])=O)CC1
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| InChI |
InChI=1S/C23H29FN2O5/c1-30-23-20(3-2-4-21(23)31-16-12-24)22(27)18-10-14-25(15-11-18)13-9-17-5-7-19(8-6-17)26(28)29/h2-8,18,22,27H,9-16H2,1H3
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| InChIKey |
CFYAUZPZSBAQNA-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