General Information of the Compound
| Compound ID |
CP0196909
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| Compound Name |
4-[(1S)-1-[[5-chloro-2-(3-cyanophenoxy)pyridine-3-carbonyl]amino]ethyl]benzoic acid
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| Structure |
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| Formula |
C22H16ClN3O4
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| Molecular Weight |
421.84
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| Canonical SMILES |
C[C@H](NC(=O)c1cc(Cl)cnc1Oc1cccc(c1)C#N)c1ccc(cc1)C(O)=O
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| InChI |
InChI=1S/C22H16ClN3O4/c1-13(15-5-7-16(8-6-15)22(28)29)26-20(27)19-10-17(23)12-25-21(19)30-18-4-2-3-14(9-18)11-24/h2-10,12-13H,1H3,(H,26,27)(H,28,29)/t13-/m0/s1
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| InChIKey |
QEJPFCHVBBYBQL-ZDUSSCGKSA-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