General Information of the Compound
| Compound ID |
CP0403962
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| Compound Name |
2-[6-chloro-3-(1-pyridin-2-ylethyl)-1H-inden-2-yl]-N,N-dimethylethanamine
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| Structure |
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| Formula |
C20H23ClN2
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| Molecular Weight |
326.871
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| Canonical SMILES |
CC(C1=C(CCN(C)C)Cc2cc(Cl)ccc12)c1ccccn1
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| InChI |
InChI=1S/C20H23ClN2/c1-14(19-6-4-5-10-22-19)20-15(9-11-23(2)3)12-16-13-17(21)7-8-18(16)20/h4-8,10,13-14H,9,11-12H2,1-3H3
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| InChIKey |
RPUXCIYWJSVFFV-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: PT01206, Histamine H1 receptor
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