General Information of the Compound
| Compound ID |
CP0816904
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| Compound Name |
Laudanosine methiodide
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| Structure |
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| Formula |
C22H30INO4
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| Molecular Weight |
499.389
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| Canonical SMILES |
COc1ccc(C[C@H]2c3cc(OC)c(OC)cc3CC[N+]2(C)C)cc1OC.[I-]
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| InChI |
InChI=1S/C22H30NO4.HI/c1-23(2)10-9-16-13-21(26-5)22(27-6)14-17(16)18(23)11-15-7-8-19(24-3)20(12-15)25-4;/h7-8,12-14,18H,9-11H2,1-6H3;1H/q+1;/p-1/t18-;/m0./s1
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| InChIKey |
SANXPMGEBDLSJX-FERBBOLQSA-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