General Information of the Compound
| Compound ID |
CP0420788
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| Compound Name |
10-methoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-2,3,9-triol
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| Structure |
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| Formula |
C18H19NO4
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| Molecular Weight |
313.353
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| Canonical SMILES |
COc1ccc2CC3N(CCc4cc(O)c(O)cc34)Cc2c1O
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| InChI |
InChI=1S/C18H19NO4/c1-23-17-3-2-10-6-14-12-8-16(21)15(20)7-11(12)4-5-19(14)9-13(10)18(17)22/h2-3,7-8,14,20-22H,4-6,9H2,1H3
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| InChIKey |
WDZUKYLSGVBAHN-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: PT01195, D(1A) dopamine receptor
Protein ID: PT01005, D(2) dopamine receptor