General Information of the Compound
| Compound ID |
CP0397515
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| Compound Name |
2,2-bis[4-(trifluoromethyl)phenyl]-1-oxa-3-azonia-2-boranuidacyclopentane
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| Structure |
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| Formula |
C16H14BF6NO
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| Molecular Weight |
361.094
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| Canonical SMILES |
FC(F)(F)c1ccc(cc1)[B-]1([NH2+]CCO1)c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C16H14BF6NO/c18-15(19,20)11-1-5-13(6-2-11)17(24-9-10-25-17)14-7-3-12(4-8-14)16(21,22)23/h1-8H,9-10,24H2
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| InChIKey |
JZOXOJHUGOJDFB-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