General Information of the Compound
| Compound ID |
CP0415789
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| Compound Name |
2-fluoro-N-[4-[5-[4-(1,4-oxazepan-4-yl)butylamino]-1,3,4-oxadiazol-2-yl]phenyl]benzamide
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| Structure |
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| Formula |
C24H28FN5O3
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| Molecular Weight |
453.518
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| Canonical SMILES |
Fc1ccccc1C(=O)Nc1ccc(cc1)-c1nnc(NCCCCN2CCCOCC2)o1
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| InChI |
InChI=1S/C24H28FN5O3/c25-21-7-2-1-6-20(21)22(31)27-19-10-8-18(9-11-19)23-28-29-24(33-23)26-12-3-4-13-30-14-5-16-32-17-15-30/h1-2,6-11H,3-5,12-17H2,(H,26,29)(H,27,31)
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| InChIKey |
BRMHGLGAVALINE-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