General Information of the Compound
| Compound ID |
CP0541587
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| Compound Name |
N-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-3-yl]-3,5-dichlorobenzamide
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| Structure |
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| Formula |
C20H20Cl2N2O3
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| Molecular Weight |
407.297
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| Canonical SMILES |
Clc1cc(Cl)cc(c1)C(=O)NC1CCCN(Cc2ccc3OCOc3c2)C1
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| InChI |
InChI=1S/C20H20Cl2N2O3/c21-15-7-14(8-16(22)9-15)20(25)23-17-2-1-5-24(11-17)10-13-3-4-18-19(6-13)27-12-26-18/h3-4,6-9,17H,1-2,5,10-12H2,(H,23,25)
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| InChIKey |
KNMAQJJONKQGFX-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