General Information of the Compound
| Compound ID |
CP0458211
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| Compound Name |
(5R)-2,2-diphenyl-3-oxa-1-azonia-2-boranuidabicyclo[3.3.0]octane
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| Structure |
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| Formula |
C17H20BNO
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| Molecular Weight |
265.165
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| Canonical SMILES |
C1C[C@@H]2CO[B-]([NH+]2C1)(c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C17H20BNO/c1-3-8-15(9-4-1)18(16-10-5-2-6-11-16)19-13-7-12-17(19)14-20-18/h1-6,8-11,17,19H,7,12-14H2/t17-/m1/s1
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| InChIKey |
MAWPESWLYSVGML-QGZVFWFLSA-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