General Information of the Compound
| Compound ID |
CP0880833
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| Compound Name |
13-Cyclohexylmethyl-2,3,9,10-tetramethoxy-5,6-dihydro-isoquino[3,2-a]isoquinolinylium chloride
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| Structure |
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| Formula |
C28H34ClNO4
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| Molecular Weight |
484.036
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| Canonical SMILES |
COc1cc2c(cc1OC)-c1c(CC3CCCCC3)c3ccc(OC)c(OC)c3c[n+]1CC2.[Cl-]
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| InChI |
InChI=1S/C28H34NO4.ClH/c1-30-24-11-10-20-22(14-18-8-6-5-7-9-18)27-21-16-26(32-3)25(31-2)15-19(21)12-13-29(27)17-23(20)28(24)33-4;/h10-11,15-18H,5-9,12-14H2,1-4H3;1H/q+1;/p-1
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| InChIKey |
DTOYYYTWZBPTHJ-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