General Information of the Compound
| Compound ID |
CP0166866
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| Compound Name |
3,3'-difluoro-4'-({[1-(3,3,3-trifluoro-propionylamino)-cyclopropanecarbonyl]-amino}-methyl)-biphenyl-2-carboxylic acid methyl ester
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| Structure |
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| Formula |
C22H19F5N2O4
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| Molecular Weight |
470.394
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| Canonical SMILES |
COC(=O)c1c(F)cccc1-c1ccc(CNC(=O)C2(CC2)NC(=O)CC(F)(F)F)c(F)c1
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| InChI |
InChI=1S/C22H19F5N2O4/c1-33-19(31)18-14(3-2-4-15(18)23)12-5-6-13(16(24)9-12)11-28-20(32)21(7-8-21)29-17(30)10-22(25,26)27/h2-6,9H,7-8,10-11H2,1H3,(H,28,32)(H,29,30)
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| InChIKey |
RFWMQJOSZCVQEW-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