General Information of the Compound
| Compound ID |
CP0437785
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| Compound Name |
(13aS)-2,3,9,11-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline
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| Structure |
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| Formula |
C21H25NO4
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| Molecular Weight |
355.434
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| Canonical SMILES |
COc1cc2C[C@@H]3N(CCc4cc(OC)c(OC)cc34)Cc2c(OC)c1
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| InChI |
InChI=1S/C21H25NO4/c1-23-15-7-14-8-18-16-11-21(26-4)20(25-3)9-13(16)5-6-22(18)12-17(14)19(10-15)24-2/h7,9-11,18H,5-6,8,12H2,1-4H3/t18-/m0/s1
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| InChIKey |
JVNZVNCHIUVRJV-SFHVURJKSA-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