General Information of the Compound
| Compound ID |
CP0384147
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[(5-phenyl-1H-imidazol-2-yl)methylamino]-2-(pyrimidin-2-ylmethoxy)benzenecarboximidamide;hydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H22ClN7O
|
||||||||||||||||||
| Molecular Weight |
435.919
|
||||||||||||||||||
| Canonical SMILES |
Cl.NC(=N)c1ccc(NCc2nc(c[nH]2)-c2ccccc2)cc1OCc1ncccn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H21N7O.ClH/c23-22(24)17-8-7-16(11-19(17)30-14-21-25-9-4-10-26-21)27-13-20-28-12-18(29-20)15-5-2-1-3-6-15;/h1-12,27H,13-14H2,(H3,23,24)(H,28,29);1H
Show/Hide
|
||||||||||||||||||
| InChIKey |
LBRQVVXZHKKMHB-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