General Information of the Compound
| Compound ID |
CP0514272
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| Compound Name |
N-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-5-chloro-2-(methylamino)benzamide
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| Structure |
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| Formula |
C21H24ClN3O3
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| Molecular Weight |
401.894
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| Canonical SMILES |
CNc1ccc(Cl)cc1C(=O)NC1CCN(Cc2ccc3OCOc3c2)CC1
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| InChI |
InChI=1S/C21H24ClN3O3/c1-23-18-4-3-15(22)11-17(18)21(26)24-16-6-8-25(9-7-16)12-14-2-5-19-20(10-14)28-13-27-19/h2-5,10-11,16,23H,6-9,12-13H2,1H3,(H,24,26)
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| InChIKey |
DQTGMTXGNQVAIX-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