General Information of the Compound
| Compound ID |
CP0454523
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| Compound Name |
[9-[(4-chlorophenyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-(2-ethyl-1,3-thiazol-4-yl)methanone
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| Structure |
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| Formula |
C21H26ClN3O2S
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| Molecular Weight |
419.978
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| Canonical SMILES |
CCc1nc(cs1)C(=O)N1CCOC2(CCN(Cc3ccc(Cl)cc3)CC2)C1
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| InChI |
InChI=1S/C21H26ClN3O2S/c1-2-19-23-18(14-28-19)20(26)25-11-12-27-21(15-25)7-9-24(10-8-21)13-16-3-5-17(22)6-4-16/h3-6,14H,2,7-13,15H2,1H3
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| InChIKey |
HNJOKNBVVXSFPS-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