General Information of the Compound
| Compound ID |
CP0475752
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| Compound Name |
(9-benzyl-2,9-diazaspiro[5.5]undecan-2-yl)-(2-methyl-1,3-thiazol-4-yl)methanone
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| Structure |
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| Formula |
C21H27N3OS
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| Molecular Weight |
369.534
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| Canonical SMILES |
Cc1nc(cs1)C(=O)N1CCCC2(CCN(Cc3ccccc3)CC2)C1
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| InChI |
InChI=1S/C21H27N3OS/c1-17-22-19(15-26-17)20(25)24-11-5-8-21(16-24)9-12-23(13-10-21)14-18-6-3-2-4-7-18/h2-4,6-7,15H,5,8-14,16H2,1H3
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| InChIKey |
PXZBMRRYQSNJHN-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