General Information of the Compound
| Compound ID |
CP0415793
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| Compound Name |
2-fluoro-N-[3-methoxy-4-[5-(4-piperidin-1-ylbutylamino)-1,3,4-oxadiazol-2-yl]phenyl]benzamide
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| Structure |
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| Formula |
C25H30FN5O3
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| Molecular Weight |
467.545
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| Canonical SMILES |
COc1cc(NC(=O)c2ccccc2F)ccc1-c1nnc(NCCCCN2CCCCC2)o1
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| InChI |
InChI=1S/C25H30FN5O3/c1-33-22-17-18(28-23(32)19-9-3-4-10-21(19)26)11-12-20(22)24-29-30-25(34-24)27-13-5-8-16-31-14-6-2-7-15-31/h3-4,9-12,17H,2,5-8,13-16H2,1H3,(H,27,30)(H,28,32)
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| InChIKey |
LWZACJZVDHZBCL-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