General Information of the Compound
| Compound ID |
CP0399916
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-chloro-6-(4-(1-(4-cyanobenzoyl)piperidin-4-yl)piperazin-1-yl)-N-(2-phenoxyethyl)nicotinamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H33ClN6O3
|
||||||||||||||||||
| Molecular Weight |
573.097
|
||||||||||||||||||
| Canonical SMILES |
Clc1cc(cnc1N1CCN(CC1)C1CCN(CC1)C(=O)c1ccc(cc1)C#N)C(=O)NCCOc1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H33ClN6O3/c32-28-20-25(30(39)34-12-19-41-27-4-2-1-3-5-27)22-35-29(28)37-17-15-36(16-18-37)26-10-13-38(14-11-26)31(40)24-8-6-23(21-33)7-9-24/h1-9,20,22,26H,10-19H2,(H,34,39)
Show/Hide
|
||||||||||||||||||
| InChIKey |
MFYIKGXKHNXDKH-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