General Information of the Compound
| Compound ID |
CP0560349
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| Compound Name |
[(3S)-4-bromo-1-hydroxy-7-methoxy-3H-2,1-benzoxaborol-3-yl]methanamine;hydrochloride
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| Structure |
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| Formula |
C9H12BBrClNO3
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| Molecular Weight |
308.368
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| Canonical SMILES |
Cl.COc1ccc(Br)c2[C@@H](CN)OB(O)c12
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| InChI |
InChI=1S/C9H11BBrNO3.ClH/c1-14-6-3-2-5(11)8-7(4-12)15-10(13)9(6)8;/h2-3,7,13H,4,12H2,1H3;1H/t7-;/m1./s1
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| InChIKey |
JYZKWKWTMMNSLH-OGFXRTJISA-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