General Information of the Compound
| Compound ID |
CP0527994
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[2-(4'-Chloro-biphenyl-4-yl)-4-cyclopentylamino-butyl]-3-(3,5-dichloro-phenyl)-urea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H30Cl3N3O
|
||||||||||||||||||
| Molecular Weight |
530.927
|
||||||||||||||||||
| Canonical SMILES |
Clc1ccc(cc1)-c1ccc(cc1)C(CCNC1CCCC1)CNC(=O)Nc1cc(Cl)cc(Cl)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H30Cl3N3O/c29-23-11-9-20(10-12-23)19-5-7-21(8-6-19)22(13-14-32-26-3-1-2-4-26)18-33-28(35)34-27-16-24(30)15-25(31)17-27/h5-12,15-17,22,26,32H,1-4,13-14,18H2,(H2,33,34,35)
Show/Hide
|
||||||||||||||||||
| InChIKey |
FEOKKKVFVPFUNS-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