General Information of the Compound
| Compound ID |
CP0445628
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| Compound Name |
3-(1-(2-thienylmethyl)-piperidin-4-yl)-5,5-diphenyl-imidazolidin-2-one
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| Structure |
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| Formula |
C25H27N3OS
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| Molecular Weight |
417.578
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| Canonical SMILES |
O=C1NC(CN1C1CCN(Cc2cccs2)CC1)(c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C25H27N3OS/c29-24-26-25(20-8-3-1-4-9-20,21-10-5-2-6-11-21)19-28(24)22-13-15-27(16-14-22)18-23-12-7-17-30-23/h1-12,17,22H,13-16,18-19H2,(H,26,29)
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| InChIKey |
BMGQVKZMTZBKLQ-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