General Information of the Compound
| Compound ID |
CP0160868
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| Compound Name |
methyl 2-[4-[[(1-acetamidocyclopropanecarbonyl)amino]methyl]-3-fluorophenyl]-6-fluorobenzoate
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| Structure |
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| Formula |
C21H20F2N2O4
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| Molecular Weight |
402.397
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| Canonical SMILES |
COC(=O)c1c(F)cccc1-c1ccc(CNC(=O)C2(CC2)NC(C)=O)c(F)c1
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| InChI |
InChI=1S/C21H20F2N2O4/c1-12(26)25-21(8-9-21)20(28)24-11-14-7-6-13(10-17(14)23)15-4-3-5-16(22)18(15)19(27)29-2/h3-7,10H,8-9,11H2,1-2H3,(H,24,28)(H,25,26)
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| InChIKey |
AFLACRRVENIZQO-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