General Information of the Compound
| Compound ID |
CP0449839
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| Compound Name |
N-methyl-N-[2-[3-(1-pyridin-2-ylethyl)-1H-inden-2-yl]ethyl]propan-2-amine
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| Structure |
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| Formula |
C22H28N2
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| Molecular Weight |
320.48
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| Canonical SMILES |
CC(C)N(C)CCC1=C(C(C)c2ccccn2)c2ccccc2C1
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| InChI |
InChI=1S/C22H28N2/c1-16(2)24(4)14-12-19-15-18-9-5-6-10-20(18)22(19)17(3)21-11-7-8-13-23-21/h5-11,13,16-17H,12,14-15H2,1-4H3
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| InChIKey |
KLYUNLYWGBECRC-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