General Information of the Compound
| Compound ID |
CP0413482
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| Compound Name |
1-[3-[4-(13-hydroxytridecyl)piperidin-1-yl]propyl]-3,4-dihydroquinolin-2-one
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| Structure |
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| Formula |
C30H50N2O2
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| Molecular Weight |
470.742
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| Canonical SMILES |
OCCCCCCCCCCCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1
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| InChI |
InChI=1S/C30H50N2O2/c33-26-13-9-7-5-3-1-2-4-6-8-10-15-27-20-24-31(25-21-27)22-14-23-32-29-17-12-11-16-28(29)18-19-30(32)34/h11-12,16-17,27,33H,1-10,13-15,18-26H2
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| InChIKey |
ZOEYTLRCDGNMCU-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