General Information of the Compound
| Compound ID |
CP0452999
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-{2-[(5-Bromo-pyridin-2-yl)-(3,4-dichloro-benzyl)-amino]-ethyl}-3-(3-pyrrolidin-1-yl-propyl)-thiourea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H28BrCl2N5S
|
||||||||||||||||||
| Molecular Weight |
545.378
|
||||||||||||||||||
| Canonical SMILES |
Clc1ccc(CN(CCNC(=S)NCCCN2CCCC2)c2ccc(Br)cn2)cc1Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H28BrCl2N5S/c23-18-5-7-21(28-15-18)30(16-17-4-6-19(24)20(25)14-17)13-9-27-22(31)26-8-3-12-29-10-1-2-11-29/h4-7,14-15H,1-3,8-13,16H2,(H2,26,27,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
PQOYZPGPIZTQTF-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