General Information of the Compound
| Compound ID |
CP0477450
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[(2-aminopyridin-4-yl)methyl]-1-(3,4-dimethoxyphenyl)-3-[3-(5-methylimidazol-1-yl)propyl]urea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H28N6O3
|
||||||||||||||||||
| Molecular Weight |
424.505
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(cc1OC)N(Cc1ccnc(N)c1)C(=O)NCCCn1cncc1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H28N6O3/c1-16-13-24-15-27(16)10-4-8-26-22(29)28(14-17-7-9-25-21(23)11-17)18-5-6-19(30-2)20(12-18)31-3/h5-7,9,11-13,15H,4,8,10,14H2,1-3H3,(H2,23,25)(H,26,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
CNGRWVHOJPNCTB-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