General Information of the Compound
| Compound ID |
CP0918692
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| Compound Name |
1-[4-(4-Benzyloxy-phenoxymethyl)-benzyl]-piperidine oxalate
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| Structure |
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| Formula |
C28H31NO6
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| Molecular Weight |
477.557
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| Canonical SMILES |
O=C(O)C(=O)O.c1ccc(COc2ccc(OCc3ccc(CN4CCCCC4)cc3)cc2)cc1
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| InChI |
InChI=1S/C26H29NO2.C2H2O4/c1-3-7-23(8-4-1)20-28-25-13-15-26(16-14-25)29-21-24-11-9-22(10-12-24)19-27-17-5-2-6-18-27;3-1(4)2(5)6/h1,3-4,7-16H,2,5-6,17-21H2;(H,3,4)(H,5,6)
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| InChIKey |
ZVHRHOXVJPAUGE-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