General Information of the Compound
| Compound ID |
CP0160875
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[2-[4-(3-cyanophenyl)phenyl]-4-piperidin-1-ylbutyl]-3-(3,5-dichlorophenyl)urea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H30Cl2N4O
|
||||||||||||||||||
| Molecular Weight |
521.492
|
||||||||||||||||||
| Canonical SMILES |
Clc1cc(Cl)cc(NC(=O)NCC(CCN2CCCCC2)c2ccc(cc2)-c2cccc(c2)C#N)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H30Cl2N4O/c30-26-16-27(31)18-28(17-26)34-29(36)33-20-25(11-14-35-12-2-1-3-13-35)23-9-7-22(8-10-23)24-6-4-5-21(15-24)19-32/h4-10,15-18,25H,1-3,11-14,20H2,(H2,33,34,36)
Show/Hide
|
||||||||||||||||||
| InChIKey |
KFQLZTUZBWUFQD-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