General Information of the Compound
| Compound ID |
CP0465678
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| Compound Name |
3-(phenoxymethyl)-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]furan-2-carboxamide
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| Structure |
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| Formula |
C25H20N2O3
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| Molecular Weight |
396.446
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| Canonical SMILES |
O=C(Nc1cccc(\C=C\c2ccccn2)c1)c1occc1COc1ccccc1
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| InChI |
InChI=1S/C25H20N2O3/c28-25(24-20(14-16-29-24)18-30-23-10-2-1-3-11-23)27-22-9-6-7-19(17-22)12-13-21-8-4-5-15-26-21/h1-17H,18H2,(H,27,28)/b13-12+
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| InChIKey |
ALHOCWLGRSHHQG-OUKQBFOZSA-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