General Information of the Compound
| Compound ID |
CP0858931
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| Compound Name |
5-phenyl-3-[(4-pyrrolidin-1-ylbut-2-yn-1-yl)oxy]-isoxazole fumarate
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| Structure |
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| Formula |
C21H22N2O6
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| Molecular Weight |
398.415
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| Canonical SMILES |
C(#CCN1CCCC1)COc1cc(-c2ccccc2)on1.O=C(O)/C=C/C(=O)O
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| InChI |
InChI=1S/C17H18N2O2.C4H4O4/c1-2-8-15(9-3-1)16-14-17(18-21-16)20-13-7-6-12-19-10-4-5-11-19;5-3(6)1-2-4(7)8/h1-3,8-9,14H,4-5,10-13H2;1-2H,(H,5,6)(H,7,8)/b;2-1+
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| InChIKey |
LDQWDYOIYCCVMX-WLHGVMLRSA-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