General Information of the Compound
| Compound ID |
CP0507618
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(3-Cyano-phenyl)-3-{2-[4-(4-fluoro-benzyl)-piperidin-1-ylmethyl]-naphthalen-1-yl}-urea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H29FN4O
|
||||||||||||||||||
| Molecular Weight |
492.598
|
||||||||||||||||||
| Canonical SMILES |
Fc1ccc(CC2CCN(Cc3ccc4ccccc4c3NC(=O)Nc3cccc(c3)C#N)CC2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H29FN4O/c32-27-12-8-22(9-13-27)18-23-14-16-36(17-15-23)21-26-11-10-25-5-1-2-7-29(25)30(26)35-31(37)34-28-6-3-4-24(19-28)20-33/h1-13,19,23H,14-18,21H2,(H2,34,35,37)
Show/Hide
|
||||||||||||||||||
| InChIKey |
GWUBGAVGGMEVNX-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