General Information of the Compound
| Compound ID |
CP0530916
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| Compound Name |
1-[2-(4-methoxyphenyl)ethyl]-3-[(1-methyl-4-phenylpiperidin-4-yl)methyl]urea
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| Structure |
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| Formula |
C23H31N3O2
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| Molecular Weight |
381.52
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| Canonical SMILES |
COc1ccc(CCNC(=O)NCC2(CCN(C)CC2)c2ccccc2)cc1
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| InChI |
InChI=1S/C23H31N3O2/c1-26-16-13-23(14-17-26,20-6-4-3-5-7-20)18-25-22(27)24-15-12-19-8-10-21(28-2)11-9-19/h3-11H,12-18H2,1-2H3,(H2,24,25,27)
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| InChIKey |
LLZBHPGNKFIHAD-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: PT01266, Muscarinic acetylcholine receptor M3
Protein ID: PT01516, Muscarinic acetylcholine receptor M5