General Information of the Compound
| Compound ID |
CP0446374
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| Compound Name |
3-(1-(3-chlorobenzyl)-piperidin-4-yl)-5-phenyl-5-cyclohexyl-imidazolidin-2-one
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| Structure |
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| Formula |
C27H34ClN3O
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| Molecular Weight |
452.042
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| Canonical SMILES |
Clc1cccc(CN2CCC(CC2)N2CC(NC2=O)(C2CCCCC2)c2ccccc2)c1
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| InChI |
InChI=1S/C27H34ClN3O/c28-24-13-7-8-21(18-24)19-30-16-14-25(15-17-30)31-20-27(29-26(31)32,22-9-3-1-4-10-22)23-11-5-2-6-12-23/h1,3-4,7-10,13,18,23,25H,2,5-6,11-12,14-17,19-20H2,(H,29,32)
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| InChIKey |
ZEUMKUUXZQOHBM-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