General Information of the Compound
| Compound ID |
CP0542345
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(4-carbamimidoylphenyl)-3-ethoxy-2-hydroxybenzamide;hydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H18ClN3O3
|
||||||||||||||||||
| Molecular Weight |
335.791
|
||||||||||||||||||
| Canonical SMILES |
Cl.CCOc1cccc(C(=O)Nc2ccc(cc2)C(N)=N)c1O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H17N3O3.ClH/c1-2-22-13-5-3-4-12(14(13)20)16(21)19-11-8-6-10(7-9-11)15(17)18;/h3-9,20H,2H2,1H3,(H3,17,18)(H,19,21);1H
Show/Hide
|
||||||||||||||||||
| InChIKey |
VFUGCZKANDMYAD-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