General Information of the Compound
| Compound ID |
CP0254954
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| Compound Name |
N-[2-(2-azabicyclo[2.2.1]heptan-2-yl)quinolin-6-yl]-3-[4-(trifluoromethyl)phenyl]propanamide
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| Structure |
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| Formula |
C25H24F3N3O
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| Molecular Weight |
439.481
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| Canonical SMILES |
FC(F)(F)c1ccc(CCC(=O)Nc2ccc3nc(ccc3c2)N2CC3CCC2C3)cc1
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| InChI |
InChI=1S/C25H24F3N3O/c26-25(27,28)19-6-1-16(2-7-19)4-12-24(32)29-20-8-10-22-18(14-20)5-11-23(30-22)31-15-17-3-9-21(31)13-17/h1-2,5-8,10-11,14,17,21H,3-4,9,12-13,15H2,(H,29,32)
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| InChIKey |
VMYOYPJHFIMQIY-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