General Information of the Compound
| Compound ID |
CP0371917
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| Compound Name |
methyl 2-[3-fluoro-4-[(1R)-1-[[1-[(2,2,2-trifluoroacetyl)amino]cyclopropanecarbonyl]amino]ethyl]phenyl]benzoate
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| Structure |
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| Formula |
C22H20F4N2O4
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| Molecular Weight |
452.404
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| Canonical SMILES |
COC(=O)c1ccccc1-c1ccc([C@@H](C)NC(=O)C2(CC2)NC(=O)C(F)(F)F)c(F)c1
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| InChI |
InChI=1S/C22H20F4N2O4/c1-12(27-19(30)21(9-10-21)28-20(31)22(24,25)26)14-8-7-13(11-17(14)23)15-5-3-4-6-16(15)18(29)32-2/h3-8,11-12H,9-10H2,1-2H3,(H,27,30)(H,28,31)/t12-/m1/s1
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| InChIKey |
ISZPHEGQKPKOQW-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