General Information of the Compound
| Compound ID |
CP0161067
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| Compound Name |
methyl 2-fluoro-6-[3-fluoro-4-[[[1-(2,2,3,3,3-pentafluoropropanoylamino)cyclopropanecarbonyl]amino]methyl]phenyl]benzoate
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| Structure |
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| Formula |
C22H17F7N2O4
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| Molecular Weight |
506.374
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| Canonical SMILES |
COC(=O)c1c(F)cccc1-c1ccc(CNC(=O)C2(CC2)NC(=O)C(F)(F)C(F)(F)F)c(F)c1
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| InChI |
InChI=1S/C22H17F7N2O4/c1-35-17(32)16-13(3-2-4-14(16)23)11-5-6-12(15(24)9-11)10-30-18(33)20(7-8-20)31-19(34)21(25,26)22(27,28)29/h2-6,9H,7-8,10H2,1H3,(H,30,33)(H,31,34)
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| InChIKey |
PYNIUHDPLMKGFJ-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