General Information of the Compound
| Compound ID |
CP0446893
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| Compound Name |
[9-[(4-chlorophenyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-phenylmethanone
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| Structure |
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| Formula |
C22H25ClN2O2
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| Molecular Weight |
384.907
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| Canonical SMILES |
Clc1ccc(CN2CCC3(CC2)CN(CCO3)C(=O)c2ccccc2)cc1
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| InChI |
InChI=1S/C22H25ClN2O2/c23-20-8-6-18(7-9-20)16-24-12-10-22(11-13-24)17-25(14-15-27-22)21(26)19-4-2-1-3-5-19/h1-9H,10-17H2
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| InChIKey |
KQSBDHSJXORWPF-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