General Information of the Compound
| Compound ID |
CP0389441
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| Compound Name |
2-[3-(2-chloro-6-methoxyquinolin-3-yl)propanoylamino]cyclohexene-1-carboxylic acid
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| Structure |
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| Formula |
C20H21ClN2O4
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| Molecular Weight |
388.851
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| Canonical SMILES |
COc1ccc2nc(Cl)c(CCC(=O)NC3=C(CCCC3)C(O)=O)cc2c1
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| InChI |
InChI=1S/C20H21ClN2O4/c1-27-14-7-8-16-13(11-14)10-12(19(21)23-16)6-9-18(24)22-17-5-3-2-4-15(17)20(25)26/h7-8,10-11H,2-6,9H2,1H3,(H,22,24)(H,25,26)
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| InChIKey |
MOFGSOLZYBVGDG-UHFFFAOYSA-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