General Information of the Compound
| Compound ID |
CP0110222
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| Compound Name |
7-fluoro-N-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-4-oxochromene-2-carboxamide
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| Structure |
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| Formula |
C22H20F2N2O3
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| Molecular Weight |
398.409
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| Canonical SMILES |
Fc1cccc(CN2CCC(CC2)NC(=O)c2cc(=O)c3ccc(F)cc3o2)c1
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| InChI |
InChI=1S/C22H20F2N2O3/c23-15-3-1-2-14(10-15)13-26-8-6-17(7-9-26)25-22(28)21-12-19(27)18-5-4-16(24)11-20(18)29-21/h1-5,10-12,17H,6-9,13H2,(H,25,28)
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| InChIKey |
YECSPBDBORKKPX-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