General Information of the Compound
| Compound ID |
CP0485771
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-(2-hydroxyoxaborinan-6-yl)benzenecarboximidamide;hydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C11H16BClN2O2
|
||||||||||||||||||
| Molecular Weight |
254.526
|
||||||||||||||||||
| Canonical SMILES |
Cl.NC(=N)c1ccc(cc1)C1CCCB(O)O1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C11H15BN2O2.ClH/c13-11(14)9-5-3-8(4-6-9)10-2-1-7-12(15)16-10;/h3-6,10,15H,1-2,7H2,(H3,13,14);1H
Show/Hide
|
||||||||||||||||||
| InChIKey |
HJNPEHGLGFTKNR-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: PT01859, Kallikrein-1
Protein ID: PT02568, Kallikrein-5