General Information of the Compound
| Compound ID |
CP0406072
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| Compound Name |
(13aS)-1,3,9,11-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 |
COc1cc2CCN3Cc4c(C[C@H]3c2c(OC)c1)cc(OC)cc4OC
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| InChI |
InChI=1S/C21H25NO4/c1-23-15-7-13-5-6-22-12-17-14(8-16(24-2)10-19(17)25-3)9-18(22)21(13)20(11-15)26-4/h7-8,10-11,18H,5-6,9,12H2,1-4H3/t18-/m0/s1
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| InChIKey |
HFKSXXFKEYZDQL-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