General Information of the Compound
| Compound ID |
CP0411030
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| Compound Name |
N-[[3-[1-(1-azabicyclo[2.2.2]octan-3-ylmethyl)-2-oxoquinolin-4-yl]phenyl]methyl]methanesulfonamide
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| Structure |
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| Formula |
C25H29N3O3S
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| Molecular Weight |
451.592
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| Canonical SMILES |
CS(=O)(=O)NCc1cccc(c1)-c1cc(=O)n(CC2CN3CCC2CC3)c2ccccc12
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| InChI |
InChI=1S/C25H29N3O3S/c1-32(30,31)26-15-18-5-4-6-20(13-18)23-14-25(29)28(24-8-3-2-7-22(23)24)17-21-16-27-11-9-19(21)10-12-27/h2-8,13-14,19,21,26H,9-12,15-17H2,1H3
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| InChIKey |
BWIUDGOSVXNDKJ-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