General Information of the Compound
| Compound ID |
CP0428409
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| Compound Name |
2-fluoro-N-[4-[5-[3-(1,4-oxazepan-4-yl)propylamino]-1,3,4-oxadiazol-2-yl]phenyl]benzamide
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| Structure |
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| Formula |
C23H26FN5O3
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| Molecular Weight |
439.491
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| Canonical SMILES |
Fc1ccccc1C(=O)Nc1ccc(cc1)-c1nnc(NCCCN2CCCOCC2)o1
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| InChI |
InChI=1S/C23H26FN5O3/c24-20-6-2-1-5-19(20)21(30)26-18-9-7-17(8-10-18)22-27-28-23(32-22)25-11-3-12-29-13-4-15-31-16-14-29/h1-2,5-10H,3-4,11-16H2,(H,25,28)(H,26,30)
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| InChIKey |
BZCRYUMMFUBHKD-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