General Information of the Compound
| Compound ID |
CP0536223
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| Compound Name |
Ethyl (7-cyano- 2-((ethoxy- carbonyl) amino)furo [2,3-c]pyridin- 3-yl)(4-fluoro- 3-(trifluoro- methyl)phenyl) carbamate
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| Structure |
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| Formula |
C21H16F4N4O5
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| Molecular Weight |
480.374
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| Canonical SMILES |
CCOC(=O)Nc1oc2c(nccc2c1N(C(=O)OCC)c1ccc(F)c(c1)C(F)(F)F)C#N
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| InChI |
InChI=1S/C21H16F4N4O5/c1-3-32-19(30)28-18-16(12-7-8-27-15(10-26)17(12)34-18)29(20(31)33-4-2)11-5-6-14(22)13(9-11)21(23,24)25/h5-9H,3-4H2,1-2H3,(H,28,30)
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| InChIKey |
OESRQWCLMMLYGH-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