General Information of the Compound
| Compound ID |
CP0179408
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| Compound Name |
N-[1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]piperidin-4-yl]-7-fluoro-4-oxochromene-2-carboxamide
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| Structure |
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| Formula |
C23H20ClFN2O5
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| Molecular Weight |
458.873
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| Canonical SMILES |
Fc1ccc2c(c1)oc(cc2=O)C(=O)NC1CCN(Cc2cc3OCOc3cc2Cl)CC1
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| InChI |
InChI=1S/C23H20ClFN2O5/c24-17-9-21-20(30-12-31-21)7-13(17)11-27-5-3-15(4-6-27)26-23(29)22-10-18(28)16-2-1-14(25)8-19(16)32-22/h1-2,7-10,15H,3-6,11-12H2,(H,26,29)
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| InChIKey |
MHZCWVOMNJUVMC-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