General Information of the Compound
| Compound ID |
CP0470009
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| Compound Name |
[9-[(2-methylphenyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone
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| Structure |
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| Formula |
C23H31N3O2S
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| Molecular Weight |
413.587
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| Canonical SMILES |
CC(C)c1nc(cs1)C(=O)N1CCOC2(CCN(Cc3ccccc3C)CC2)C1
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| InChI |
InChI=1S/C23H31N3O2S/c1-17(2)21-24-20(15-29-21)22(27)26-12-13-28-23(16-26)8-10-25(11-9-23)14-19-7-5-4-6-18(19)3/h4-7,15,17H,8-14,16H2,1-3H3
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| InChIKey |
BWSIBMJVLHAOKJ-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