General Information of the Compound
| Compound ID |
CP0539519
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[2-carbamimidoyl-5-[(5-phenyl-1H-imidazol-2-yl)methylamino]phenoxy]-N-methylacetamide;formic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H24N6O4
|
||||||||||||||||||
| Molecular Weight |
424.461
|
||||||||||||||||||
| Canonical SMILES |
OC=O.CNC(=O)COc1cc(NCc2nc(c[nH]2)-c2ccccc2)ccc1C(N)=N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H22N6O2.CH2O2/c1-23-19(27)12-28-17-9-14(7-8-15(17)20(21)22)24-11-18-25-10-16(26-18)13-5-3-2-4-6-13;2-1-3/h2-10,24H,11-12H2,1H3,(H3,21,22)(H,23,27)(H,25,26);1H,(H,2,3)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZPMJNSIZSXIHRN-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