General Information of the Compound
| Compound ID |
CP0377069
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| Compound Name |
N-[1-[3-(6,7-difluoro-2-oxo-3,4-dihydroquinolin-1-yl)propyl]piperidin-4-yl]-2-(3,4-dimethoxyphenyl)acetamide
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| Structure |
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| Formula |
C27H33F2N3O4
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| Molecular Weight |
501.574
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| Canonical SMILES |
COc1ccc(CC(=O)NC2CCN(CCCN3C(=O)CCc4cc(F)c(F)cc34)CC2)cc1OC
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| InChI |
InChI=1S/C27H33F2N3O4/c1-35-24-6-4-18(14-25(24)36-2)15-26(33)30-20-8-12-31(13-9-20)10-3-11-32-23-17-22(29)21(28)16-19(23)5-7-27(32)34/h4,6,14,16-17,20H,3,5,7-13,15H2,1-2H3,(H,30,33)
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| InChIKey |
XGOZHCNNVCVDJO-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: PT01156, Muscarinic acetylcholine receptor M4
Protein ID: PT01516, Muscarinic acetylcholine receptor M5