General Information of the Compound
| Compound ID |
CP0418801
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-{2-[(5-Bromo-pyridin-2-yl)-(3,4-dichloro-benzyl)-amino]-ethyl}-3-(3-dimethylamino-propyl)-thiourea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H26BrCl2N5S
|
||||||||||||||||||
| Molecular Weight |
519.34
|
||||||||||||||||||
| Canonical SMILES |
CN(C)CCCNC(=S)NCCN(Cc1ccc(Cl)c(Cl)c1)c1ccc(Br)cn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H26BrCl2N5S/c1-27(2)10-3-8-24-20(29)25-9-11-28(19-7-5-16(21)13-26-19)14-15-4-6-17(22)18(23)12-15/h4-7,12-13H,3,8-11,14H2,1-2H3,(H2,24,25,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
HKMFVCXUMMRKOQ-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
Protein ID: PT01505, Somatostatin receptor type 2
Protein ID: PT01398, Somatostatin receptor type 4