General Information of the Compound
| Compound ID |
CP0460475
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| Compound Name |
N-spiro[1,4-dihydroimidazole-5,3'-1-azabicyclo[2.2.2]octane]-2-yl-1,3-benzothiazol-2-amine
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| Structure |
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| Formula |
C16H19N5S
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| Molecular Weight |
313.43
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| Canonical SMILES |
C1N=C(Nc2nc3ccccc3s2)NC11CN2CCC1CC2
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| InChI |
InChI=1S/C16H19N5S/c1-2-4-13-12(3-1)18-15(22-13)19-14-17-9-16(20-14)10-21-7-5-11(16)6-8-21/h1-4,11H,5-10H2,(H2,17,18,19,20)
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| InChIKey |
IXJYVLNPJZDTEH-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: PT02118, Neuronal acetylcholine receptor subunit alpha-7