General Information of the Compound
| Compound ID |
CP0504490
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| Compound Name |
(9-benzyl-3,9-diazaspiro[5.5]undecan-3-yl)-pyridin-3-ylmethanone
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| Structure |
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| Formula |
C22H27N3O
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| Molecular Weight |
349.478
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| Canonical SMILES |
O=C(N1CCC2(CCN(Cc3ccccc3)CC2)CC1)c1cccnc1
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| InChI |
InChI=1S/C22H27N3O/c26-21(20-7-4-12-23-17-20)25-15-10-22(11-16-25)8-13-24(14-9-22)18-19-5-2-1-3-6-19/h1-7,12,17H,8-11,13-16,18H2
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| InChIKey |
VMVVEALWGMZVMD-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