General Information of the Compound
| Compound ID |
CP0526367
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| Compound Name |
2,6-dimethyl-N-[(2-methyl-2-azabicyclo[2.2.2]octan-1-yl)-pyridin-4-ylmethyl]benzamide
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| Structure |
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| Formula |
C23H29N3O
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| Molecular Weight |
363.505
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| Canonical SMILES |
CN1CC2CCC1(CC2)C(NC(=O)c1c(C)cccc1C)c1ccncc1
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| InChI |
InChI=1S/C23H29N3O/c1-16-5-4-6-17(2)20(16)22(27)25-21(19-9-13-24-14-10-19)23-11-7-18(8-12-23)15-26(23)3/h4-6,9-10,13-14,18,21H,7-8,11-12,15H2,1-3H3,(H,25,27)
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| InChIKey |
JKTKESKSMRIFSF-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