General Information of the Compound
| Compound ID |
CP0388840
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| Compound Name |
1-[7-(3-chlorophenoxy)heptyl]-3-methylpiperidine;oxalic acid
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| Structure |
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| Formula |
C21H32ClNO5
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| Molecular Weight |
413.942
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| Canonical SMILES |
OC(=O)C(O)=O.CC1CCCN(CCCCCCCOc2cccc(Cl)c2)C1
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| InChI |
InChI=1S/C19H30ClNO.C2H2O4/c1-17-9-8-13-21(16-17)12-5-3-2-4-6-14-22-19-11-7-10-18(20)15-19;3-1(4)2(5)6/h7,10-11,15,17H,2-6,8-9,12-14,16H2,1H3;(H,3,4)(H,5,6)
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| InChIKey |
ZRYRNYOPYDFDCF-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