General Information of the Compound
| Compound ID |
CP0168609
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| Compound Name |
ethyl 4-[(3R)-3-[(2-methylbenzoyl)amino]piperidin-1-yl]piperidine-1-carboxylate
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| Structure |
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| Formula |
C21H31N3O3
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| Molecular Weight |
373.497
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| Canonical SMILES |
CCOC(=O)N1CCC(CC1)N1CCC[C@H](C1)NC(=O)c1ccccc1C
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| InChI |
InChI=1S/C21H31N3O3/c1-3-27-21(26)23-13-10-18(11-14-23)24-12-6-8-17(15-24)22-20(25)19-9-5-4-7-16(19)2/h4-5,7,9,17-18H,3,6,8,10-15H2,1-2H3,(H,22,25)/t17-/m1/s1
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| InChIKey |
NYDGEZQQIMDHCY-QGZVFWFLSA-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: PT01913, Muscarinic acetylcholine receptor M1
Protein ID: PT01310, Muscarinic acetylcholine receptor M1
Protein ID: PT01470, Muscarinic acetylcholine receptor M2
Protein ID: PT01198, Muscarinic acetylcholine receptor M2
Protein ID: PT01713, Muscarinic acetylcholine receptor M3
Protein ID: PT01266, Muscarinic acetylcholine receptor M3
Protein ID: PT01736, Muscarinic acetylcholine receptor M4
Protein ID: PT01156, Muscarinic acetylcholine receptor M4
Protein ID: PT03292, Muscarinic acetylcholine receptor M5
Protein ID: PT01516, Muscarinic acetylcholine receptor M5