General Information of the Compound
| Compound ID |
CP0045827
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| Compound Name |
3-[1-(oxan-4-yl)piperidin-4-yl]-1H-benzimidazol-2-one
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| Structure |
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| Formula |
C17H23N3O2
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| Molecular Weight |
301.39
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| Canonical SMILES |
O=c1[nH]c2ccccc2n1C1CCN(CC1)C1CCOCC1
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| InChI |
InChI=1S/C17H23N3O2/c21-17-18-15-3-1-2-4-16(15)20(17)14-5-9-19(10-6-14)13-7-11-22-12-8-13/h1-4,13-14H,5-12H2,(H,18,21)
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| InChIKey |
SHKKFEWDVRVDFL-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: PT01266, Muscarinic acetylcholine receptor M3
Protein ID: PT01156, Muscarinic acetylcholine receptor M4
Protein ID: PT01516, Muscarinic acetylcholine receptor M5