General Information of the Compound
| Compound ID |
CP0458210
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| Compound Name |
2,2-diphenyl-1-thia-3-azonia-2-boranuidacyclopentane
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| Structure |
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| Formula |
C14H16BNS
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| Molecular Weight |
241.168
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| Canonical SMILES |
C1CS[B-]([NH2+]1)(c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C14H16BNS/c1-3-7-13(8-4-1)15(16-11-12-17-15)14-9-5-2-6-10-14/h1-10H,11-12,16H2
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| InChIKey |
JDCMTRGXERAKPR-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