General Information of the Compound
| Compound ID |
CP0082043
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| Compound Name |
4-[(1S)-1-[[5-chloro-2-(3-methoxyphenoxy)pyridine-3-carbonyl]amino]ethyl]benzoic acid
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| Structure |
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| Formula |
C22H19ClN2O5
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| Molecular Weight |
426.856
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| Canonical SMILES |
COc1cccc(Oc2ncc(Cl)cc2C(=O)N[C@@H](C)c2ccc(cc2)C(O)=O)c1
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| InChI |
InChI=1S/C22H19ClN2O5/c1-13(14-6-8-15(9-7-14)22(27)28)25-20(26)19-10-16(23)12-24-21(19)30-18-5-3-4-17(11-18)29-2/h3-13H,1-2H3,(H,25,26)(H,27,28)/t13-/m0/s1
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| InChIKey |
WDNRZLVDQUAYSF-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