General Information of the Compound
| Compound ID |
CP0955992
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| Compound Name |
2,3,9,10-Tetramethoxy-8,13-dihydro-isoquino[3,2-a]isoquinolinylium chloride
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| Structure |
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| Formula |
C21H22ClNO4
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| Molecular Weight |
387.863
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| Canonical SMILES |
COc1cc2cc[n+]3c(c2cc1OC)Cc1ccc(OC)c(OC)c1C3.[Cl-]
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| InChI |
InChI=1S/C21H22NO4.ClH/c1-23-18-6-5-13-9-17-15-11-20(25-3)19(24-2)10-14(15)7-8-22(17)12-16(13)21(18)26-4;/h5-8,10-11H,9,12H2,1-4H3;1H/q+1;/p-1
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| InChIKey |
ALPQENNVMFPSDX-UHFFFAOYSA-M
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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