General Information of the Compound
| Compound ID |
CP0454221
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| Compound Name |
(9-benzyl-3,9-diazaspiro[5.5]undecan-3-yl)-(2-ethoxyphenyl)methanone
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| Structure |
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| Formula |
C25H32N2O2
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| Molecular Weight |
392.543
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| Canonical SMILES |
CCOc1ccccc1C(=O)N1CCC2(CCN(Cc3ccccc3)CC2)CC1
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| InChI |
InChI=1S/C25H32N2O2/c1-2-29-23-11-7-6-10-22(23)24(28)27-18-14-25(15-19-27)12-16-26(17-13-25)20-21-8-4-3-5-9-21/h3-11H,2,12-20H2,1H3
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| InChIKey |
OOLRDYUDZYBWFI-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: PT01198, Muscarinic acetylcholine receptor M2
Protein ID: PT01266, Muscarinic acetylcholine receptor M3