General Information of the Compound
| Compound ID |
CP0880166
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| Compound Name |
2-(4-Piperidin-1-ylbut-2-yn-1-yl)isoxazolidin-3-one oxalate
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| Structure |
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| Formula |
C14H20N2O6
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| Molecular Weight |
312.322
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| Canonical SMILES |
O=C(O)C(=O)O.O=C1CCON1CC#CCN1CCCCC1
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| InChI |
InChI=1S/C12H18N2O2.C2H2O4/c15-12-6-11-16-14(12)10-5-4-9-13-7-2-1-3-8-13;3-1(4)2(5)6/h1-3,6-11H2;(H,3,4)(H,5,6)
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| InChIKey |
SPJDCNFZODNKEM-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