General Information of the Compound
| Compound ID |
CP0578469
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| Compound Name |
Ethyl (3- chloro-4- fluorophenyl) (7-(3- cyanophenyl)- 2-((ethoxy- carbonyl) amino)furo [2,3-c]pyridin- 3-yl)carbamate
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| Structure |
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| Formula |
C26H20ClFN4O5
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| Molecular Weight |
522.92
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| Canonical SMILES |
CCOC(=O)Nc1oc2c(nccc2c1N(C(=O)OCC)c1ccc(F)c(Cl)c1)-c1cccc(c1)C#N
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| InChI |
InChI=1S/C26H20ClFN4O5/c1-3-35-25(33)31-24-22(32(26(34)36-4-2)17-8-9-20(28)19(27)13-17)18-10-11-30-21(23(18)37-24)16-7-5-6-15(12-16)14-29/h5-13H,3-4H2,1-2H3,(H,31,33)
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| InChIKey |
HMMDFDUVLUINMC-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