General Information of the Compound
| Compound ID |
CP0391429
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| Compound Name |
[9-[(4-chlorophenyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-[5-(hydroxymethyl)furan-2-yl]methanone
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| Structure |
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| Formula |
C21H25ClN2O4
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| Molecular Weight |
404.894
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| Canonical SMILES |
OCc1ccc(o1)C(=O)N1CCOC2(CCN(Cc3ccc(Cl)cc3)CC2)C1
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| InChI |
InChI=1S/C21H25ClN2O4/c22-17-3-1-16(2-4-17)13-23-9-7-21(8-10-23)15-24(11-12-27-21)20(26)19-6-5-18(14-25)28-19/h1-6,25H,7-15H2
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| InChIKey |
XUEHBXCPZIUJTD-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