General Information of the Compound
| Compound ID |
CP0531395
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| Compound Name |
N-(1H-indol-5-ylmethyl)-3-[[4-(trifluoromethyl)phenoxy]methyl]azetidine-1-carboxamide
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| Formula |
C21H20F3N3O2
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| Molecular Weight |
403.404
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| Canonical SMILES |
FC(F)(F)c1ccc(OCC2CN(C2)C(=O)NCc2ccc3[nH]ccc3c2)cc1
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| InChI |
InChI=1S/C21H20F3N3O2/c22-21(23,24)17-2-4-18(5-3-17)29-13-15-11-27(12-15)20(28)26-10-14-1-6-19-16(9-14)7-8-25-19/h1-9,15,25H,10-13H2,(H,26,28)
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| InChIKey |
CREAVHWWSWYHAQ-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
Protein ID: PT01846, Neuronal acetylcholine receptor subunit alpha-7
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2