General Information of the Compound
| Compound ID |
CP0832694
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| Compound Name |
N-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-5,6-dichloro-4-oxo-4H-chromene-2-carboxamide
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| Structure |
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| Formula |
C23H20Cl2N2O5
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| Molecular Weight |
475.328
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| Canonical SMILES |
O=C(NC1CCN(Cc2ccc3c(c2)OCO3)CC1)c1cc(=O)c2c(Cl)c(Cl)ccc2o1
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| InChI |
InChI=1S/C23H20Cl2N2O5/c24-15-2-4-18-21(22(15)25)16(28)10-20(32-18)23(29)26-14-5-7-27(8-6-14)11-13-1-3-17-19(9-13)31-12-30-17/h1-4,9-10,14H,5-8,11-12H2,(H,26,29)
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| InChIKey |
AGBFMFGHXLRHBP-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