General Information of the Compound
| Compound ID |
CP0913591
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| Compound Name |
1-(4-m-Tolyloxymethyl-benzyl)-piperidine oxalate
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| Structure |
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| Formula |
C22H27NO5
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| Molecular Weight |
385.46
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| Canonical SMILES |
Cc1cccc(OCc2ccc(CN3CCCCC3)cc2)c1.O=C(O)C(=O)O
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| InChI |
InChI=1S/C20H25NO.C2H2O4/c1-17-6-5-7-20(14-17)22-16-19-10-8-18(9-11-19)15-21-12-3-2-4-13-21;3-1(4)2(5)6/h5-11,14H,2-4,12-13,15-16H2,1H3;(H,3,4)(H,5,6)
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| InChIKey |
HMIFUZVHRKEKBL-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