General Information of the Compound
| Compound ID |
CP0567127
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| Compound Name |
2-chloro-N-[1-(2-methyl-2-azabicyclo[2.2.2]octan-1-yl)pentyl]-3-(trifluoromethyl)benzamide
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| Structure |
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| Formula |
C21H28ClF3N2O
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| Molecular Weight |
416.915
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| Canonical SMILES |
CCCCC(NC(=O)c1cccc(c1Cl)C(F)(F)F)C12CCC(CC1)CN2C
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| InChI |
InChI=1S/C21H28ClF3N2O/c1-3-4-8-17(20-11-9-14(10-12-20)13-27(20)2)26-19(28)15-6-5-7-16(18(15)22)21(23,24)25/h5-7,14,17H,3-4,8-13H2,1-2H3,(H,26,28)
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| InChIKey |
BKHAUGNLWSVPGW-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