General Information of the Compound
| Compound ID |
CP0171231
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| Compound Name |
7-(8-aza-bicyclo[3.2.1]octan-3-yl)-5-(2-chloro-4-fluorophenyl)-1-(2,6-dichlorophenyl)quinolin-2(1H)-one
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| Structure |
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| Formula |
C28H22Cl3FN2O
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| Molecular Weight |
527.854
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| Canonical SMILES |
Fc1ccc(c(Cl)c1)-c1cc(cc2n(-c3c(Cl)cccc3Cl)c(=O)ccc12)C1CC2CCC(C1)N2
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| InChI |
InChI=1S/C28H22Cl3FN2O/c29-23-2-1-3-24(30)28(23)34-26-13-16(15-10-18-5-6-19(11-15)33-18)12-22(21(26)8-9-27(34)35)20-7-4-17(32)14-25(20)31/h1-4,7-9,12-15,18-19,33H,5-6,10-11H2
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| InChIKey |
PULZCVVMWDBVFZ-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