General Information of the Compound
| Compound ID |
CP0352902
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| Compound Name |
methyl 2-[4-[[[1-(2,2-dichloropropanoylamino)cyclopropanecarbonyl]amino]methyl]-3-fluorophenyl]-6-fluorobenzoate
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| Structure |
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| Formula |
C22H20Cl2F2N2O4
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| Molecular Weight |
485.314
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| Canonical SMILES |
COC(=O)c1c(F)cccc1-c1ccc(CNC(=O)C2(CC2)NC(=O)C(C)(Cl)Cl)c(F)c1
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| InChI |
InChI=1S/C22H20Cl2F2N2O4/c1-21(23,24)19(30)28-22(8-9-22)20(31)27-11-13-7-6-12(10-16(13)26)14-4-3-5-15(25)17(14)18(29)32-2/h3-7,10H,8-9,11H2,1-2H3,(H,27,31)(H,28,30)
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| InChIKey |
HVTMHVBWOSYYLY-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