General Information of the Compound
| Compound ID |
CP0454220
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| Compound Name |
(9-benzyl-3,9-diazaspiro[5.5]undecan-3-yl)-thiophen-3-ylmethanone
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| Structure |
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| Formula |
C21H26N2OS
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| Molecular Weight |
354.519
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| Canonical SMILES |
O=C(N1CCC2(CCN(Cc3ccccc3)CC2)CC1)c1ccsc1
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| InChI |
InChI=1S/C21H26N2OS/c24-20(19-6-15-25-17-19)23-13-9-21(10-14-23)7-11-22(12-8-21)16-18-4-2-1-3-5-18/h1-6,15,17H,7-14,16H2
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| InChIKey |
KWDRCVJZNGJVMU-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