General Information of the Compound
| Compound ID |
CP0320086
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| Compound Name |
(2R)-2-(4-(5-(2-chloro-4-fluorophenyl)-1-(2,6-dichlorophenyl)-2-oxo-1,2-dihydroquinolin-7-yl)piperidin-1-yl)propanoic acid
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| Structure |
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| Formula |
C29H24Cl3FN2O3
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| Molecular Weight |
573.879
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| Canonical SMILES |
C[C@@H](N1CCC(CC1)c1cc(-c2ccc(F)cc2Cl)c2ccc(=O)n(-c3c(Cl)cccc3Cl)c2c1)C(O)=O
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| InChI |
InChI=1S/C29H24Cl3FN2O3/c1-16(29(37)38)34-11-9-17(10-12-34)18-13-22(20-6-5-19(33)15-25(20)32)21-7-8-27(36)35(26(21)14-18)28-23(30)3-2-4-24(28)31/h2-8,13-17H,9-12H2,1H3,(H,37,38)/t16-/m1/s1
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| InChIKey |
URBUXCDIWBUQDI-MRXNPFEDSA-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