General Information of the Compound
| Compound ID |
CP0416657
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| Compound Name |
[(13aS)-2,3,9,11-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-12-yl]methanol
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| Structure |
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| Formula |
C22H27NO5
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| Molecular Weight |
385.46
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| Canonical SMILES |
COc1cc2CCN3Cc4c(OC)cc(OC)c(CO)c4C[C@H]3c2cc1OC
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| InChI |
InChI=1S/C22H27NO5/c1-25-19-10-20(26-2)17(12-24)15-8-18-14-9-22(28-4)21(27-3)7-13(14)5-6-23(18)11-16(15)19/h7,9-10,18,24H,5-6,8,11-12H2,1-4H3/t18-/m0/s1
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| InChIKey |
FDMHBTAXJFCYLV-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