General Information of the Compound
| Compound ID |
CP0458755
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| Compound Name |
4-[5-[[3-(fluoromethyl)-1-benzofuran-2-carbonyl]amino]pyridin-2-yl]-N-(2-fluorophenyl)piperazine-1-carboxamide
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| Structure |
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| Formula |
C26H23F2N5O3
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| Molecular Weight |
491.498
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| Canonical SMILES |
FCc1c(oc2ccccc12)C(=O)Nc1ccc(nc1)N1CCN(CC1)C(=O)Nc1ccccc1F
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| InChI |
InChI=1S/C26H23F2N5O3/c27-15-19-18-5-1-4-8-22(18)36-24(19)25(34)30-17-9-10-23(29-16-17)32-11-13-33(14-12-32)26(35)31-21-7-3-2-6-20(21)28/h1-10,16H,11-15H2,(H,30,34)(H,31,35)
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| InChIKey |
FEPAPMZQKUCVRC-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