General Information of the Compound
| Compound ID |
CP0397949
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| Compound Name |
N,N-dimethyl-2-[3-[phenyl(pyridin-2-yl)methyl]-1H-inden-2-yl]ethanamine
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| Structure |
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| Formula |
C25H26N2
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| Molecular Weight |
354.497
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| Canonical SMILES |
CN(C)CCC1=C(C(c2ccccc2)c2ccccn2)c2ccccc2C1
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| InChI |
InChI=1S/C25H26N2/c1-27(2)17-15-21-18-20-12-6-7-13-22(20)24(21)25(19-10-4-3-5-11-19)23-14-8-9-16-26-23/h3-14,16,25H,15,17-18H2,1-2H3
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| InChIKey |
UFUQREONAQKXQA-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