General Information of the Compound
| Compound ID |
CP0502639
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| Compound Name |
11-Propargyloxy-N-methylaporphine
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| Structure |
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| Formula |
C20H19NO
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| Molecular Weight |
289.378
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| Canonical SMILES |
CN1CCc2cccc-3c2[C@H]1Cc1cccc(OCC#C)c-31
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| InChI |
InChI=1S/C20H19NO/c1-3-12-22-18-9-5-7-15-13-17-19-14(10-11-21(17)2)6-4-8-16(19)20(15)18/h1,4-9,17H,10-13H2,2H3/t17-/m1/s1
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| InChIKey |
SIOFUKNCUIDAPQ-QGZVFWFLSA-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: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT01195, D(1A) dopamine receptor
Protein ID: PT01005, D(2) dopamine receptor