General Information of the Compound
| Compound ID |
CP0910938
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| Compound Name |
N,N-dimethyl-4-[(5-phenylisoxazol-3-yl)oxy]but-2-yn-1-amine oxalat
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| Structure |
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| Formula |
C17H18N2O6
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| Molecular Weight |
346.339
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| Canonical SMILES |
CN(C)CC#CCOc1cc(-c2ccccc2)on1.O=C(O)C(=O)O
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| InChI |
InChI=1S/C15H16N2O2.C2H2O4/c1-17(2)10-6-7-11-18-15-12-14(19-16-15)13-8-4-3-5-9-13;3-1(4)2(5)6/h3-5,8-9,12H,10-11H2,1-2H3;(H,3,4)(H,5,6)
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| InChIKey |
NYSUDCDBBLVGGU-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