General Information of the Compound
| Compound ID |
CP0636568
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| Compound Name |
boldine methiodide
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| Structure |
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| Formula |
C20H24INO4
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| Molecular Weight |
469.319
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| Canonical SMILES |
COc1cc2c(cc1O)C[C@H]1c3c(cc(O)c(OC)c3-2)CC[N+]1(C)C.[I-]
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| InChI |
InChI=1S/C20H23NO4.HI/c1-21(2)6-5-11-8-16(23)20(25-4)19-13-10-17(24-3)15(22)9-12(13)7-14(21)18(11)19;/h8-10,14H,5-7H2,1-4H3,(H-,22,23);1H/t14-;/m0./s1
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| InChIKey |
JABUVDMKOLFKGM-UQKRIMTDSA-N
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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