General Information of the Compound
| Compound ID |
CP0483322
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| Compound Name |
4-[[(1-hydroxy-3H-2,1-benzoxaborol-7-yl)amino]methyl]benzenecarboximidamide;hydrochloride
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| Structure |
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| Formula |
C15H17BClN3O2
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| Molecular Weight |
317.585
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| Canonical SMILES |
Cl.NC(=N)c1ccc(CNc2cccc3COB(O)c23)cc1
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| InChI |
InChI=1S/C15H16BN3O2.ClH/c17-15(18)11-6-4-10(5-7-11)8-19-13-3-1-2-12-9-21-16(20)14(12)13;/h1-7,19-20H,8-9H2,(H3,17,18);1H
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| InChIKey |
KMJZJZFAJYOQCZ-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