General Information of the Compound
| Compound ID |
CP0438684
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| Compound Name |
2,3,10,12-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-11-ol
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| Structure |
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| Formula |
C21H25NO5
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| Molecular Weight |
371.433
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| Canonical SMILES |
COc1cc2CCN3Cc4cc(OC)c(O)c(OC)c4CC3c2cc1OC
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| InChI |
InChI=1S/C21H25NO5/c1-24-17-7-12-5-6-22-11-13-8-19(26-3)20(23)21(27-4)15(13)9-16(22)14(12)10-18(17)25-2/h7-8,10,16,23H,5-6,9,11H2,1-4H3
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| InChIKey |
NWYYBDGDVQCHHQ-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