General Information of the Compound
| Compound ID |
CP0374586
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[4-(10H-imidazo[1,2-b][2]benzazepin-4-yl)piperazin-1-yl]cyclohexane-1-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H28N4O2
|
||||||||||||||||||
| Molecular Weight |
392.503
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)C1CCC(CC1)N1CCN(CC1)C1=Cc2ccccc2Cn2ccnc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H28N4O2/c28-23(29)17-5-7-20(8-6-17)25-11-13-26(14-12-25)21-15-18-3-1-2-4-19(18)16-27-10-9-24-22(21)27/h1-4,9-10,15,17,20H,5-8,11-14,16H2,(H,28,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
IIRIKFXWBJTDCC-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