General Information of the Compound
| Compound ID |
CP0491839
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
formic acid;2-(2-methylpropoxy)-4-[(5-phenyl-1H-imidazol-2-yl)methylamino]benzenecarboximidamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H27N5O3
|
||||||||||||||||||
| Molecular Weight |
409.49
|
||||||||||||||||||
| Canonical SMILES |
OC=O.CC(C)COc1cc(NCc2nc(c[nH]2)-c2ccccc2)ccc1C(N)=N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H25N5O.CH2O2/c1-14(2)13-27-19-10-16(8-9-17(19)21(22)23)24-12-20-25-11-18(26-20)15-6-4-3-5-7-15;2-1-3/h3-11,14,24H,12-13H2,1-2H3,(H3,22,23)(H,25,26);1H,(H,2,3)
Show/Hide
|
||||||||||||||||||
| InChIKey |
OWJZKEMWRAEVRU-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