General Information of the Compound
| Compound ID |
CP0510568
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| Compound Name |
1-[4-(2-methylimidazol-1-yl)but-2-ynyl]pyrrolidin-2-one
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| Structure |
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| Formula |
C12H15N3O
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| Molecular Weight |
217.272
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| Canonical SMILES |
Cc1nccn1CC#CCN1CCCC1=O
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| InChI |
InChI=1S/C12H15N3O/c1-11-13-6-10-14(11)7-2-3-8-15-9-4-5-12(15)16/h6,10H,4-5,7-9H2,1H3
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| InChIKey |
KWBBYHOSQKDRRU-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: PT01310, Muscarinic acetylcholine receptor M1
Protein ID: PT01198, Muscarinic acetylcholine receptor M2
Protein ID: PT01516, Muscarinic acetylcholine receptor M5