General Information of the Compound
| Compound ID |
CP0486726
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[3-[3-[2-(4-chlorophenyl)-2-oxoethyl]-7-ethyl-2-iminobenzimidazol-1-yl]propyl]-N-methyl-2-phenylacetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H31ClN4O2
|
||||||||||||||||||
| Molecular Weight |
503.046
|
||||||||||||||||||
| Canonical SMILES |
CCc1cccc2n(CC(=O)c3ccc(Cl)cc3)c(=N)n(CCCN(C)C(=O)Cc3ccccc3)c12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H31ClN4O2/c1-3-22-11-7-12-25-28(22)33(18-8-17-32(2)27(36)19-21-9-5-4-6-10-21)29(31)34(25)20-26(35)23-13-15-24(30)16-14-23/h4-7,9-16,31H,3,8,17-20H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
NORQBQYXNZJWEB-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: PT03433, C-X-C chemokine receptor type 3
Protein ID: PT05171, C-X-C chemokine receptor type 3