General Information of the Compound
| Compound ID |
CP0378979
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| Compound Name |
1-azabicyclo[2.2.2]octan-3-yl (3E)-3-(pyridin-2-ylmethylidene)indene-1-carboxylate
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| Structure |
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| Formula |
C23H22N2O2
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| Molecular Weight |
358.441
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| Canonical SMILES |
O=C(OC1CN2CCC1CC2)C1=C\C(=C/c2ccccn2)c2ccccc12
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| InChI |
InChI=1S/C23H22N2O2/c26-23(27-22-15-25-11-8-16(22)9-12-25)21-14-17(13-18-5-3-4-10-24-18)19-6-1-2-7-20(19)21/h1-7,10,13-14,16,22H,8-9,11-12,15H2/b17-13+
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| InChIKey |
VDRDKKLNMTZAMF-GHRIWEEISA-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: PT01310, Muscarinic acetylcholine receptor M1
Protein ID: PT01198, Muscarinic acetylcholine receptor M2
Protein ID: PT01266, Muscarinic acetylcholine receptor M3
Protein ID: PT01156, Muscarinic acetylcholine receptor M4
Protein ID: PT01516, Muscarinic acetylcholine receptor M5