General Information of the Compound
| Compound ID |
CP0391885
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| Compound Name |
2-chloro-N-[(4-methoxyphenyl)-(2-methyl-2-azabicyclo[2.2.2]octan-1-yl)methyl]-3-(trifluoromethyl)benzamide
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| Structure |
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| Formula |
C24H26ClF3N2O2
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| Molecular Weight |
466.931
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| Canonical SMILES |
COc1ccc(cc1)C(NC(=O)c1cccc(c1Cl)C(F)(F)F)C12CCC(CC1)CN2C
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| InChI |
InChI=1S/C24H26ClF3N2O2/c1-30-14-15-10-12-23(30,13-11-15)21(16-6-8-17(32-2)9-7-16)29-22(31)18-4-3-5-19(20(18)25)24(26,27)28/h3-9,15,21H,10-14H2,1-2H3,(H,29,31)
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| InChIKey |
SIMBCGZPFCTLFN-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