General Information of the Compound
| Compound ID |
CP0416645
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| Compound Name |
(13aS)-3,11-dimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-2-ol
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| Structure |
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| Formula |
C19H21NO3
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| Molecular Weight |
311.381
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| Canonical SMILES |
COc1ccc2CN3CCc4cc(OC)c(O)cc4[C@@H]3Cc2c1
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| InChI |
InChI=1S/C19H21NO3/c1-22-15-4-3-13-11-20-6-5-12-9-19(23-2)18(21)10-16(12)17(20)8-14(13)7-15/h3-4,7,9-10,17,21H,5-6,8,11H2,1-2H3/t17-/m0/s1
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| InChIKey |
XZPOSTRUOZYGKG-KRWDZBQOSA-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: PT01195, D(1A) dopamine receptor
Protein ID: PT01005, D(2) dopamine receptor