General Information of the Compound
| Compound ID |
CP0932771
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| Compound Name |
13-Ethyl-9-(4-fluoro-2-trifluoromethyl-benzyloxy)-2,3,10-trimethoxy-5,6-dihydro-isoquino[3,2-a]isoquinolinylium iodide
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| Structure |
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| Formula |
C30H28F4INO4
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| Molecular Weight |
669.453
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| Canonical SMILES |
CCc1c2[n+](cc3c(OCc4ccc(F)cc4C(F)(F)F)c(OC)ccc13)CCc1cc(OC)c(OC)cc1-2.[I-]
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| InChI |
InChI=1S/C30H28F4NO4.HI/c1-5-20-21-8-9-25(36-2)29(39-16-18-6-7-19(31)13-24(18)30(32,33)34)23(21)15-35-11-10-17-12-26(37-3)27(38-4)14-22(17)28(20)35;/h6-9,12-15H,5,10-11,16H2,1-4H3;1H/q+1;/p-1
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| InChIKey |
VYHDOTGIXOTTSG-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