General Information of the Compound
| Compound ID |
CP0414356
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| Compound Name |
N-[3-ethyl-4-[5-(3-piperidin-1-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]-2-fluorobenzamide
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| Structure |
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| Formula |
C25H30FN5O2
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| Molecular Weight |
451.546
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| Canonical SMILES |
CCc1cc(NC(=O)c2ccccc2F)ccc1-c1nnc(NCCCN2CCCCC2)o1
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| InChI |
InChI=1S/C25H30FN5O2/c1-2-18-17-19(28-23(32)21-9-4-5-10-22(21)26)11-12-20(18)24-29-30-25(33-24)27-13-8-16-31-14-6-3-7-15-31/h4-5,9-12,17H,2-3,6-8,13-16H2,1H3,(H,27,30)(H,28,32)
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| InChIKey |
WISMAYYAAISQCZ-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