General Information of the Compound
| Compound ID |
CP0360970
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[(1-hydroxy-5-methyl-3H-2,1-benzoxaborol-3-yl)methyl]-2-(pyridin-3-ylmethoxy)benzenecarboximidamide;hydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H23BClN3O3
|
||||||||||||||||||
| Molecular Weight |
423.709
|
||||||||||||||||||
| Canonical SMILES |
Cl.Cc1ccc2B(O)OC(Cc3ccc(C(N)=N)c(OCc4cccnc4)c3)c2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H22BN3O3.ClH/c1-14-4-7-19-18(9-14)21(29-23(19)27)11-15-5-6-17(22(24)25)20(10-15)28-13-16-3-2-8-26-12-16;/h2-10,12,21,27H,11,13H2,1H3,(H3,24,25);1H
Show/Hide
|
||||||||||||||||||
| InChIKey |
BSZJZZYFEGDCDY-UHFFFAOYSA-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
Protein ID: PT00868, Coagulation factor X
Protein ID: PT01859, Kallikrein-1
Protein ID: PT02569, Kallikrein-14
Protein ID: PT02568, Kallikrein-5
Protein ID: PT03015, Kallikrein-7
Protein ID: PT04137, Kallikrein-8
Protein ID: PT02196, Plasma kallikrein
Protein ID: PT00822, Prothrombin
Protein ID: PT01043, Urokinase-type plasminogen activator