General Information of the Compound
| Compound ID |
CP0445478
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| Compound Name |
N-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-3-yl]-3-(trifluoromethoxy)benzamide
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| Structure |
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| Formula |
C21H21F3N2O4
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| Molecular Weight |
422.403
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| Canonical SMILES |
FC(F)(F)Oc1cccc(c1)C(=O)NC1CCCN(Cc2ccc3OCOc3c2)C1
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| InChI |
InChI=1S/C21H21F3N2O4/c22-21(23,24)30-17-5-1-3-15(10-17)20(27)25-16-4-2-8-26(12-16)11-14-6-7-18-19(9-14)29-13-28-18/h1,3,5-7,9-10,16H,2,4,8,11-13H2,(H,25,27)
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| InChIKey |
MGFAGHHUZJKCJS-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