General Information of the Compound
| Compound ID |
CP0428407
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| Compound Name |
N-[4-[5-[3-(1,4-diazabicyclo[3.2.2]nonan-4-yl)propylamino]-1,3,4-oxadiazol-2-yl]phenyl]-2-fluorobenzamide
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| Structure |
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| Formula |
C25H29FN6O2
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| Molecular Weight |
464.545
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| Canonical SMILES |
Fc1ccccc1C(=O)Nc1ccc(cc1)-c1nnc(NCCCN2CCN3CCC2CC3)o1
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| InChI |
InChI=1S/C25H29FN6O2/c26-22-5-2-1-4-21(22)23(33)28-19-8-6-18(7-9-19)24-29-30-25(34-24)27-12-3-13-32-17-16-31-14-10-20(32)11-15-31/h1-2,4-9,20H,3,10-17H2,(H,27,30)(H,28,33)
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| InChIKey |
JYUBNUMVEOHBQB-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