General Information of the Compound
| Compound ID |
CP0254955
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| Compound Name |
1-(6-{13-[4-(trifluoromethyl)phenyl]tridecanamido}quinolin-2-yl)-1-azabicyclo[2.2.2]octan-1-ylium
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| Structure |
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| Formula |
C36H47F3N3O+
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| Molecular Weight |
594.786
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| Canonical SMILES |
FC(F)(F)c1ccc(CCCCCCCCCCCCC(=O)Nc2ccc3nc(ccc3c2)[N+]23CCC(CC2)CC3)cc1
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| InChI |
InChI=1S/C36H46F3N3O/c37-36(38,39)31-16-13-28(14-17-31)11-9-7-5-3-1-2-4-6-8-10-12-35(43)40-32-18-19-33-30(27-32)15-20-34(41-33)42-24-21-29(22-25-42)23-26-42/h13-20,27,29H,1-12,21-26H2/p+1
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| InChIKey |
DHGGHSPKBKPGOG-UHFFFAOYSA-O
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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