General Information of the Compound
| Compound ID |
CP0403379
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| Compound Name |
N-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-3-chlorobenzamide
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| Structure |
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| Formula |
C20H21ClN2O3
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| Molecular Weight |
372.852
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| Canonical SMILES |
Clc1cccc(c1)C(=O)NC1CCN(Cc2ccc3OCOc3c2)CC1
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| InChI |
InChI=1S/C20H21ClN2O3/c21-16-3-1-2-15(11-16)20(24)22-17-6-8-23(9-7-17)12-14-4-5-18-19(10-14)26-13-25-18/h1-5,10-11,17H,6-9,12-13H2,(H,22,24)
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| InChIKey |
YMVJGSUQEASWAC-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