General Information of the Compound
| Compound ID |
CP0417882
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| Compound Name |
2-Methoxy-11-allyloxy-N-methylaporphine
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| Structure |
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| Formula |
C21H23NO2
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| Molecular Weight |
321.42
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| Canonical SMILES |
COc1cc2CCN(C)[C@@H]3Cc4cccc(OCC=C)c4-c(c1)c23
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| InChI |
InChI=1S/C21H23NO2/c1-4-10-24-19-7-5-6-14-12-18-20-15(8-9-22(18)2)11-16(23-3)13-17(20)21(14)19/h4-7,11,13,18H,1,8-10,12H2,2-3H3/t18-/m1/s1
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| InChIKey |
DQHOPVHCOMQTNV-GOSISDBHSA-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