General Information of the Compound
| Compound ID |
CP0424269
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| Compound Name |
2-(dimethylamino)ethyl 3-(pyridin-3-ylmethyl)-1H-indene-2-carboxylate
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| Structure |
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| Formula |
C20H22N2O2
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| Molecular Weight |
322.408
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| Canonical SMILES |
CN(C)CCOC(=O)C1=C(Cc2cccnc2)c2ccccc2C1
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| InChI |
InChI=1S/C20H22N2O2/c1-22(2)10-11-24-20(23)19-13-16-7-3-4-8-17(16)18(19)12-15-6-5-9-21-14-15/h3-9,14H,10-13H2,1-2H3
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| InChIKey |
SIOXJKJAYRUERS-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: 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