General Information of the Compound
| Compound ID |
CP0272712
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| Compound Name |
(13aS)-3,9,11-trimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-2-ol
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| Structure |
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| Formula |
C20H23NO4
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| Molecular Weight |
341.407
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| Canonical SMILES |
COc1cc2C[C@@H]3N(CCc4cc(OC)c(O)cc34)Cc2c(OC)c1
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| InChI |
InChI=1S/C20H23NO4/c1-23-14-6-13-7-17-15-10-18(22)20(25-3)8-12(15)4-5-21(17)11-16(13)19(9-14)24-2/h6,8-10,17,22H,4-5,7,11H2,1-3H3/t17-/m0/s1
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| InChIKey |
FRWMMTRZIGEDEP-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
Cell-based Assay