General Information of the Compound
| Compound ID |
CP0578472
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| Compound Name |
Benzyl (3-((3- chloro-4- fluorophenyl) amino)-7- cyanofuro [2,3-c]pyridin- 2-yl)carbamate
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| Structure |
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| Formula |
C22H14ClFN4O3
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| Molecular Weight |
436.83
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| Canonical SMILES |
Fc1ccc(Nc2c(NC(=O)OCc3ccccc3)oc3c(nccc23)C#N)cc1Cl
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| InChI |
InChI=1S/C22H14ClFN4O3/c23-16-10-14(6-7-17(16)24)27-19-15-8-9-26-18(11-25)20(15)31-21(19)28-22(29)30-12-13-4-2-1-3-5-13/h1-10,27H,12H2,(H,28,29)
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| InChIKey |
FLVDPLHHVNZTKO-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