General Information of the Compound
| Compound ID |
CP0528622
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| Compound Name |
1-benzofuran-5-yl-[9-[(4-chlorophenyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone
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| Structure |
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| Formula |
C24H25ClN2O3
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| Molecular Weight |
424.928
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| Canonical SMILES |
Clc1ccc(CN2CCC3(CC2)CN(CCO3)C(=O)c2ccc3occc3c2)cc1
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| InChI |
InChI=1S/C24H25ClN2O3/c25-21-4-1-18(2-5-21)16-26-10-8-24(9-11-26)17-27(12-14-30-24)23(28)20-3-6-22-19(15-20)7-13-29-22/h1-7,13,15H,8-12,14,16-17H2
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| InChIKey |
HLYKZUHDUDNXQM-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