General Information of the Compound
| Compound ID |
CP0847107
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| Compound Name |
4-n-butyl-1-[4-(2-methylphenyl)-4-oxo-1-butyl]-piperidine hydrogen chloride
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| Structure |
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| Formula |
C20H32ClNO
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| Molecular Weight |
337.935
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| Canonical SMILES |
CCCCC1CCN(CCCC(=O)c2ccccc2C)CC1.Cl
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| InChI |
InChI=1S/C20H31NO.ClH/c1-3-4-9-18-12-15-21(16-13-18)14-7-11-20(22)19-10-6-5-8-17(19)2;/h5-6,8,10,18H,3-4,7,9,11-16H2,1-2H3;1H
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| InChIKey |
HJCOVULGUXGGSU-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