General Information of the Compound
| Compound ID |
CP0251147
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| Compound Name |
methyl 2-[4-[5-(2-chloro-4-fluorophenyl)-1-(2,6-dichlorophenyl)-2-oxoquinolin-7-yl]piperidin-1-yl]-2-methylpropanoate
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| Structure |
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| Formula |
C31H28Cl3FN2O3
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| Molecular Weight |
601.933
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| Canonical SMILES |
COC(=O)C(C)(C)N1CCC(CC1)c1cc(-c2ccc(F)cc2Cl)c2ccc(=O)n(-c3c(Cl)cccc3Cl)c2c1
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| InChI |
InChI=1S/C31H28Cl3FN2O3/c1-31(2,30(39)40-3)36-13-11-18(12-14-36)19-15-23(21-8-7-20(35)17-26(21)34)22-9-10-28(38)37(27(22)16-19)29-24(32)5-4-6-25(29)33/h4-10,15-18H,11-14H2,1-3H3
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| InChIKey |
SEUUXALSENZKFO-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