General Information of the Compound
| Compound ID |
CP0110215
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| Compound Name |
N-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-7-bromo-4-oxochromene-2-carboxamide
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| Structure |
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| Formula |
C23H21BrN2O5
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| Molecular Weight |
485.334
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| Canonical SMILES |
Brc1ccc2c(c1)oc(cc2=O)C(=O)NC1CCN(Cc2ccc3OCOc3c2)CC1
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| InChI |
InChI=1S/C23H21BrN2O5/c24-15-2-3-17-18(27)11-22(31-20(17)10-15)23(28)25-16-5-7-26(8-6-16)12-14-1-4-19-21(9-14)30-13-29-19/h1-4,9-11,16H,5-8,12-13H2,(H,25,28)
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| InChIKey |
YHVMAQQCYJWINX-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