General Information of the Compound
| Compound ID |
CP0481794
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| Compound Name |
2-[4-[[4-(2,3-dichlorophenoxy)phenyl]methoxy]piperidin-1-yl]-N-methylethanamine
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| Structure |
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| Formula |
C21H26Cl2N2O2
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| Molecular Weight |
409.357
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| Canonical SMILES |
CNCCN1CCC(CC1)OCc1ccc(Oc2cccc(Cl)c2Cl)cc1
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| InChI |
InChI=1S/C21H26Cl2N2O2/c1-24-11-14-25-12-9-17(10-13-25)26-15-16-5-7-18(8-6-16)27-20-4-2-3-19(22)21(20)23/h2-8,17,24H,9-15H2,1H3
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| InChIKey |
NHEFIVVNRQJHSA-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