General Information of the Compound
| Compound ID |
CP0114103
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| Compound Name |
4-[(1S)-1-[[5-chloro-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carbonyl]amino]ethyl]benzoic acid
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| Structure |
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| Formula |
C22H16ClF3N2O4
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| Molecular Weight |
464.827
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| Canonical SMILES |
C[C@H](NC(=O)c1cc(Cl)cnc1Oc1cccc(c1)C(F)(F)F)c1ccc(cc1)C(O)=O
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| InChI |
InChI=1S/C22H16ClF3N2O4/c1-12(13-5-7-14(8-6-13)21(30)31)28-19(29)18-10-16(23)11-27-20(18)32-17-4-2-3-15(9-17)22(24,25)26/h2-12H,1H3,(H,28,29)(H,30,31)/t12-/m0/s1
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| InChIKey |
GDGXFIXQVMSXIR-LBPRGKRZSA-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