General Information of the Compound
| Compound ID |
CP0496732
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| Compound Name |
methyl 2-[4-[(1R)-1-[(1-acetamidocyclopropanecarbonyl)amino]ethyl]-3-fluorophenyl]-6-fluorobenzoate
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| Structure |
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| Formula |
C22H22F2N2O4
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| Molecular Weight |
416.424
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| Canonical SMILES |
COC(=O)c1c(F)cccc1-c1ccc([C@@H](C)NC(=O)C2(CC2)NC(C)=O)c(F)c1
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| InChI |
InChI=1S/C22H22F2N2O4/c1-12(25-21(29)22(9-10-22)26-13(2)27)15-8-7-14(11-18(15)24)16-5-4-6-17(23)19(16)20(28)30-3/h4-8,11-12H,9-10H2,1-3H3,(H,25,29)(H,26,27)/t12-/m1/s1
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| InChIKey |
QXADEGGJHUEGCT-GFCCVEGCSA-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