General Information of the Compound
| Compound ID |
CP0559359
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(2,3-dihydro-1H-indol-5-yl)-3-[(1R,2S)-2-[[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]cyclohexyl]urea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H37FN4O
|
||||||||||||||||||
| Molecular Weight |
464.629
|
||||||||||||||||||
| Canonical SMILES |
Fc1ccc(C[C@@H]2CCCN(C[C@@H]3CCCC[C@H]3NC(=O)Nc3ccc4NCCc4c3)C2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H37FN4O/c29-24-9-7-20(8-10-24)16-21-4-3-15-33(18-21)19-23-5-1-2-6-27(23)32-28(34)31-25-11-12-26-22(17-25)13-14-30-26/h7-12,17,21,23,27,30H,1-6,13-16,18-19H2,(H2,31,32,34)/t21-,23-,27+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
GIEDRDQDSGAHQW-JEYPMZLKSA-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