General Information of the Compound
| Compound ID |
CP0566749
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| Compound Name |
N-[2-[2-[4-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]piperazin-1-yl]-2-oxoethoxy]ethyl]-4-methoxy-N,2,6-trimethylbenzenesulfonamide
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| Structure |
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| Formula |
C25H40N4O5S
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| Molecular Weight |
508.685
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| Canonical SMILES |
COc1cc(C)c(c(C)c1)S(=O)(=O)N(C)CCOCC(=O)N1CCN(CC1)[C@@H]1CN2CCC1CC2
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| InChI |
InChI=1S/C25H40N4O5S/c1-19-15-22(33-4)16-20(2)25(19)35(31,32)26(3)13-14-34-18-24(30)29-11-9-28(10-12-29)23-17-27-7-5-21(23)6-8-27/h15-16,21,23H,5-14,17-18H2,1-4H3/t23-/m1/s1
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| InChIKey |
IYKMGIPOAICWMX-HSZRJFAPSA-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