General Information of the Compound
| Compound ID |
CP0554545
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| Compound Name |
N-[1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]piperidin-4-yl]-2-(3-chlorophenoxy)acetamide
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| Structure |
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| Formula |
C21H22Cl2N2O4
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| Molecular Weight |
437.323
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| Canonical SMILES |
Clc1cccc(OCC(=O)NC2CCN(Cc3cc4OCOc4cc3Cl)CC2)c1
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| InChI |
InChI=1S/C21H22Cl2N2O4/c22-15-2-1-3-17(9-15)27-12-21(26)24-16-4-6-25(7-5-16)11-14-8-19-20(10-18(14)23)29-13-28-19/h1-3,8-10,16H,4-7,11-13H2,(H,24,26)
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| InChIKey |
MLMQMUQOOFSKQS-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