General Information of the Compound
| Compound ID |
CP0010514
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| Compound Name |
(E)-3-(3-methylthiophen-2-yl)-N-[(2S,3R)-2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]prop-2-enamide
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| Structure |
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| Formula |
C21H25N3OS
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| Molecular Weight |
367.518
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| Canonical SMILES |
Cc1ccsc1\C=C\C(=O)N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1
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| InChI |
InChI=1S/C21H25N3OS/c1-15-8-12-26-19(15)4-5-20(25)23-21-17-6-10-24(11-7-17)18(21)13-16-3-2-9-22-14-16/h2-5,8-9,12,14,17-18,21H,6-7,10-11,13H2,1H3,(H,23,25)/b5-4+/t18-,21+/m0/s1
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| InChIKey |
DIPCYWZEQFODFH-BLCVROGKSA-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: PT02118, Neuronal acetylcholine receptor subunit alpha-7
Protein ID: PT01846, Neuronal acetylcholine receptor subunit alpha-7