General Information of the Compound
| Compound ID |
CP0949631
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| Compound Name |
2,3,9,10-Tetramethoxy-13-propyl-5,6-dihydro-isoquino[3,2-a]isoquinolinylium iodide
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| Structure |
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| Formula |
C24H28INO4
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| Molecular Weight |
521.395
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| Canonical SMILES |
CCCc1c2[n+](cc3c(OC)c(OC)ccc13)CCc1cc(OC)c(OC)cc1-2.[I-]
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| InChI |
InChI=1S/C24H28NO4.HI/c1-6-7-17-16-8-9-20(26-2)24(29-5)19(16)14-25-11-10-15-12-21(27-3)22(28-4)13-18(15)23(17)25;/h8-9,12-14H,6-7,10-11H2,1-5H3;1H/q+1;/p-1
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| InChIKey |
WTYWGPFSXJFCTR-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