General Information of the Compound
| Compound ID |
CP0340318
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| Compound Name |
N-[2-(2-azabicyclo[2.2.2]octan-2-yl)quinolin-6-yl]-3-[4-(trifluoromethyl)phenyl]propanamide
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| Structure |
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| Formula |
C26H26F3N3O
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| Molecular Weight |
453.508
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| Canonical SMILES |
FC(F)(F)c1ccc(CCC(=O)Nc2ccc3nc(ccc3c2)N2CC3CCC2CC3)cc1
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| InChI |
InChI=1S/C26H26F3N3O/c27-26(28,29)20-7-1-17(2-8-20)5-14-25(33)30-21-9-12-23-19(15-21)6-13-24(31-23)32-16-18-3-10-22(32)11-4-18/h1-2,6-9,12-13,15,18,22H,3-5,10-11,14,16H2,(H,30,33)
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| InChIKey |
ZAYSVOFFPKLBAE-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