General Information of the Compound
| Compound ID |
CP0372477
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| Compound Name |
2-[6-methoxy-3-(1-pyridin-2-ylethyl)-1H-inden-2-yl]-N,N-dimethylethanamine
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| Structure |
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| Formula |
C21H26N2O
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| Molecular Weight |
322.452
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| Canonical SMILES |
COc1ccc2C(C(C)c3ccccn3)=C(CCN(C)C)Cc2c1
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| InChI |
InChI=1S/C21H26N2O/c1-15(20-7-5-6-11-22-20)21-16(10-12-23(2)3)13-17-14-18(24-4)8-9-19(17)21/h5-9,11,14-15H,10,12-13H2,1-4H3
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| InChIKey |
MRQZZXHSUJAGCV-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