General Information of the Compound
| Compound ID |
CP0474872
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(3-imidazol-1-ylpropyl)acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H25ClN4O3
|
||||||||||||||||||
| Molecular Weight |
464.953
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)NCCCn3ccnc3)c2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H25ClN4O3/c1-17-21(15-24(31)28-10-3-12-29-13-11-27-16-29)22-14-20(33-2)8-9-23(22)30(17)25(32)18-4-6-19(26)7-5-18/h4-9,11,13-14,16H,3,10,12,15H2,1-2H3,(H,28,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZQRUJKWKFBZUSU-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