General Information of the Compound
| Compound ID |
CP0414980
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| Compound Name |
Ethyl (7-((4- carbamoyl- phenyl)ethynyl)- 2-((ethoxy- carbonyl)amino) furo[2,3-c] pyridin-3-yl) (3-chloro-4- fluorophenyl) carbamate
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| Structure |
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| Formula |
C28H22ClFN4O6
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| Molecular Weight |
564.957
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| Canonical SMILES |
CCOC(=O)Nc1oc2c(nccc2c1N(C(=O)OCC)c1ccc(F)c(Cl)c1)C#Cc1ccc(cc1)C(N)=O
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| InChI |
InChI=1S/C28H22ClFN4O6/c1-3-38-27(36)33-26-23(34(28(37)39-4-2)18-10-11-21(30)20(29)15-18)19-13-14-32-22(24(19)40-26)12-7-16-5-8-17(9-6-16)25(31)35/h5-6,8-11,13-15H,3-4H2,1-2H3,(H2,31,35)(H,33,36)
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| InChIKey |
BIIQPUDVZKWHPL-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