General Information of the Compound
| Compound ID |
CP0527640
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| Compound Name |
2-(5-methylthiophen-2-yl)-2-phenyl-1-oxa-3-azonia-2-boranuidacyclopentane
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| Structure |
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| Formula |
C13H16BNOS
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| Molecular Weight |
245.156
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| Canonical SMILES |
Cc1ccc(s1)[B-]1([NH2+]CCO1)c1ccccc1
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| InChI |
InChI=1S/C13H16BNOS/c1-11-7-8-13(17-11)14(15-9-10-16-14)12-5-3-2-4-6-12/h2-8H,9-10,15H2,1H3
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| InChIKey |
GHYBLWLPZXHEBK-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