General Information of the Compound
| Compound ID |
CP0433363
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[5-[(3,5-dimethyl-1-benzofuran-2-carbonyl)amino]pyridin-2-yl]-N-(2-fluorophenyl)piperazine-1-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H26FN5O3
|
||||||||||||||||||
| Molecular Weight |
487.535
|
||||||||||||||||||
| Canonical SMILES |
Cc1c(oc2ccc(C)cc12)C(=O)Nc1ccc(nc1)N1CCN(CC1)C(=O)Nc1ccccc1F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H26FN5O3/c1-17-7-9-23-20(15-17)18(2)25(36-23)26(34)30-19-8-10-24(29-16-19)32-11-13-33(14-12-32)27(35)31-22-6-4-3-5-21(22)28/h3-10,15-16H,11-14H2,1-2H3,(H,30,34)(H,31,35)
Show/Hide
|
||||||||||||||||||
| InChIKey |
NNEMLRAHQUWGLM-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