General Information of the Compound
| Compound ID |
CP0040205
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| Compound Name |
8-iodoniatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene
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| Structure |
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| Formula |
C12H8I+
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| Molecular Weight |
279.1
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| Canonical SMILES |
[I+]1c2ccccc2-c2ccccc12
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| InChI |
InChI=1S/C12H8I/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8H/q+1
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| InChIKey |
QFXKXRXFBRLLPQ-UHFFFAOYSA-N
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| CAS |
123773-57-9
244-54-2
4510-83-2
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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