General Information of the Compound
| Compound ID |
CP0381251
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| Compound Name |
9,9-diphenyl-8-oxa-1-azonia-9-boranuidabicyclo[4.3.0]nona-1,3,5-triene
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| Structure |
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| Formula |
C18H16BNO
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| Molecular Weight |
273.144
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| Canonical SMILES |
C1O[B-](c2ccccc2)(c2ccccc2)[n+]2ccccc12
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| InChI |
InChI=1S/C18H16BNO/c1-3-9-16(10-4-1)19(17-11-5-2-6-12-17)20-14-8-7-13-18(20)15-21-19/h1-14H,15H2
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| InChIKey |
UWSCJSOSXINLMD-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