General Information of the Compound
| Compound ID |
CP0967471
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| Compound Name |
1-[4-(4-Piperidin-1-ylmethyl-benzyloxy)-phenyl]-ethanone O-methyl-oxime oxalate
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| Structure |
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| Formula |
C24H30N2O6
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| Molecular Weight |
442.512
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| Canonical SMILES |
CO/N=C(\C)c1ccc(OCc2ccc(CN3CCCCC3)cc2)cc1.O=C(O)C(=O)O
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| InChI |
InChI=1S/C22H28N2O2.C2H2O4/c1-18(23-25-2)21-10-12-22(13-11-21)26-17-20-8-6-19(7-9-20)16-24-14-4-3-5-15-24;3-1(4)2(5)6/h6-13H,3-5,14-17H2,1-2H3;(H,3,4)(H,5,6)/b23-18+;
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| InChIKey |
BMSRGMVSRAZTFD-XHMOQMQQSA-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