General Information of the Compound
| Compound ID |
CP0897809
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| Compound Name |
8-[4-(4,5-dihydroisoxazol-3-yloxy)but-2-yn-1-yl]-8-azabicyclo[3.2.1]octane oxalate
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| Structure |
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| Formula |
C16H22N2O5
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| Molecular Weight |
322.361
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| Canonical SMILES |
C(#CCN1C2CCCC1CC2)CC1=NOCC1.O=C(O)C(=O)O
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| InChI |
InChI=1S/C14H20N2O.C2H2O4/c1(4-12-9-11-17-15-12)2-10-16-13-5-3-6-14(16)8-7-13;3-1(4)2(5)6/h13-14H,3-11H2;(H,3,4)(H,5,6)
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| InChIKey |
UNPDBAGHKCDELW-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: PT01198, Muscarinic acetylcholine receptor M2
Protein ID: PT01516, Muscarinic acetylcholine receptor M5