General Information of the Compound
| Compound ID |
CP0406073
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| Compound Name |
(13aS)-1,2,3,9,11-pentamethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline
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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 |
COc1cc2C[C@@H]3N(CCc4cc(OC)c(OC)c(OC)c34)Cc2c(OC)c1
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| InChI |
InChI=1S/C22H27NO5/c1-24-15-8-14-9-17-20-13(10-19(26-3)21(27-4)22(20)28-5)6-7-23(17)12-16(14)18(11-15)25-2/h8,10-11,17H,6-7,9,12H2,1-5H3/t17-/m0/s1
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| InChIKey |
OWQWXZCNCVEPNZ-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