General Information of the Compound
| Compound ID |
CP0475148
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| Compound Name |
ethyl 2-chloro-6-[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 |
C23H21ClF4N2O4
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| Molecular Weight |
500.876
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| Canonical SMILES |
CCOC(=O)c1c(Cl)cccc1-c1ccc([C@@H](C)NC(=O)C2(CC2)NC(=O)C(F)(F)F)c(F)c1
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| InChI |
InChI=1S/C23H21ClF4N2O4/c1-3-34-19(31)18-15(5-4-6-16(18)24)13-7-8-14(17(25)11-13)12(2)29-20(32)22(9-10-22)30-21(33)23(26,27)28/h4-8,11-12H,3,9-10H2,1-2H3,(H,29,32)(H,30,33)/t12-/m1/s1
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| InChIKey |
JEVUFRSXVGVJII-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