General Information of the Compound
| Compound ID |
CP0541064
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| Compound Name |
1-[6-(3-chlorophenoxy)hexyl]-3-methylpiperidine;oxalic acid
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| Structure |
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| Formula |
C20H30ClNO5
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| Molecular Weight |
399.915
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| Canonical SMILES |
OC(=O)C(O)=O.CC1CCCN(CCCCCCOc2cccc(Cl)c2)C1
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| InChI |
InChI=1S/C18H28ClNO.C2H2O4/c1-16-8-7-12-20(15-16)11-4-2-3-5-13-21-18-10-6-9-17(19)14-18;3-1(4)2(5)6/h6,9-10,14,16H,2-5,7-8,11-13,15H2,1H3;(H,3,4)(H,5,6)
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| InChIKey |
XICPDZQMPHNGKZ-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