General Information of the Compound
| Compound ID |
CP0370191
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| Compound Name |
5-(2-chloro-4-fluorophenyl)-1-(2,6-dichlorophenyl)-7-(8-methyl-8-aza-bicyclo[3.2.1]octan-3-yl)quinolin-2(1H)-one
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| Structure |
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| Formula |
C29H24Cl3FN2O
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| Molecular Weight |
541.881
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| Canonical SMILES |
CN1C2CCC1CC(C2)c1cc(-c2ccc(F)cc2Cl)c2ccc(=O)n(-c3c(Cl)cccc3Cl)c2c1
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| InChI |
InChI=1S/C29H24Cl3FN2O/c1-34-19-6-7-20(34)12-16(11-19)17-13-23(21-8-5-18(33)15-26(21)32)22-9-10-28(36)35(27(22)14-17)29-24(30)3-2-4-25(29)31/h2-5,8-10,13-16,19-20H,6-7,11-12H2,1H3
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| InChIKey |
DZESTJPBFUVRJV-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