General Information of the Compound
| Compound ID |
CP0415932
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| Compound Name |
1-[3-[4-[11-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxy]undecyl]piperidin-1-yl]propyl]-3,4-dihydroquinolin-2-one
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| Structure |
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| Formula |
C36H55N5O2S
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| Molecular Weight |
621.936
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| Canonical SMILES |
CN1CCC=C(C1)c1nsnc1OCCCCCCCCCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1
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| InChI |
InChI=1S/C36H55N5O2S/c1-39-23-13-17-32(29-39)35-36(38-44-37-35)43-28-12-8-6-4-2-3-5-7-9-15-30-21-26-40(27-22-30)24-14-25-41-33-18-11-10-16-31(33)19-20-34(41)42/h10-11,16-18,30H,2-9,12-15,19-29H2,1H3
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| InChIKey |
SQVWTVHVWIHOSU-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: PT01198, Muscarinic acetylcholine receptor M2
Protein ID: PT01266, Muscarinic acetylcholine receptor M3
Protein ID: PT01156, Muscarinic acetylcholine receptor M4
Protein ID: PT01516, Muscarinic acetylcholine receptor M5