General Information of the Compound
| Compound ID |
CP0454821
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| Compound Name |
4-[(1S)-1-[[5-chloro-2-(3,4-difluorophenoxy)pyridine-3-carbonyl]amino]ethyl]benzoic acid
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| Structure |
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| Formula |
C21H15ClF2N2O4
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| Molecular Weight |
432.81
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| Canonical SMILES |
C[C@H](NC(=O)c1cc(Cl)cnc1Oc1ccc(F)c(F)c1)c1ccc(cc1)C(O)=O
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| InChI |
InChI=1S/C21H15ClF2N2O4/c1-11(12-2-4-13(5-3-12)21(28)29)26-19(27)16-8-14(22)10-25-20(16)30-15-6-7-17(23)18(24)9-15/h2-11H,1H3,(H,26,27)(H,28,29)/t11-/m0/s1
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| InChIKey |
NWAARQJHDWAZKA-NSHDSACASA-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