General Information of the Compound
| Compound ID |
CP0513763
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| Compound Name |
2-fluoro-N-[4-[5-[3-(4-methylpiperazin-1-yl)propylamino]-1,3,4-oxadiazol-2-yl]phenyl]benzamide
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| Structure |
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| Formula |
C23H27FN6O2
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| Molecular Weight |
438.507
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| Canonical SMILES |
CN1CCN(CCCNc2nnc(o2)-c2ccc(NC(=O)c3ccccc3F)cc2)CC1
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| InChI |
InChI=1S/C23H27FN6O2/c1-29-13-15-30(16-14-29)12-4-11-25-23-28-27-22(32-23)17-7-9-18(10-8-17)26-21(31)19-5-2-3-6-20(19)24/h2-3,5-10H,4,11-16H2,1H3,(H,25,28)(H,26,31)
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| InChIKey |
ZLBWTGJVWXPRFH-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