General Information of the Compound
| Compound ID |
CP0916934
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| Compound Name |
1-[4-(3,4-Dichloro-phenoxymethyl)-benzyl]-piperidine oxalate
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| Structure |
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| Formula |
C21H23Cl2NO5
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| Molecular Weight |
440.323
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| Canonical SMILES |
Clc1ccc(OCc2ccc(CN3CCCCC3)cc2)cc1Cl.O=C(O)C(=O)O
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| InChI |
InChI=1S/C19H21Cl2NO.C2H2O4/c20-18-9-8-17(12-19(18)21)23-14-16-6-4-15(5-7-16)13-22-10-2-1-3-11-22;3-1(4)2(5)6/h4-9,12H,1-3,10-11,13-14H2;(H,3,4)(H,5,6)
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| InChIKey |
MZELMBGFCFNOIG-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