General Information of the Compound
| Compound ID |
CP0283235
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| Compound Name |
2-(4-iodophenyl)-2-phenyl-1-oxa-3-azonia-2-boranuidacyclopentane
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| Structure |
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| Formula |
C14H15BINO
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| Molecular Weight |
350.996
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| Canonical SMILES |
Ic1ccc(cc1)[B-]1([NH2+]CCO1)c1ccccc1
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| InChI |
InChI=1S/C14H15BINO/c16-14-8-6-13(7-9-14)15(17-10-11-18-15)12-4-2-1-3-5-12/h1-9H,10-11,17H2
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| InChIKey |
KBSYJUUWVAIJOM-UHFFFAOYSA-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