General Information of the Compound
| Compound ID |
CP0476357
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[(3S)-4-bromo-1-hydroxy-7,8-dihydro-3H-oxaborolo[4,3-h][1,4]benzodioxin-3-yl]methanamine;hydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C10H12BBrClNO4
|
||||||||||||||||||
| Molecular Weight |
336.378
|
||||||||||||||||||
| Canonical SMILES |
Cl.NC[C@H]1OB(O)c2c1c(Br)cc1OCCOc21
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C10H11BBrNO4.ClH/c12-5-3-6-10(16-2-1-15-6)9-8(5)7(4-13)17-11(9)14;/h3,7,14H,1-2,4,13H2;1H/t7-;/m1./s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
LWCQHIWYAHBONZ-OGFXRTJISA-N
|
||||||||||||||||||
| 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
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
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 |
|
|---|
Table of Molecular Bioactivities Related to the Compound