General Information of the Compound
| Compound ID |
CP0384089
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(1H-Benzotriazol-5-yl)-3-{2-[(5-bromo-pyridin-2-yl)-(3,4-dichloro-benzyl)-amino]-ethyl}-thiourea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H18BrCl2N7S
|
||||||||||||||||||
| Molecular Weight |
551.301
|
||||||||||||||||||
| Canonical SMILES |
Clc1ccc(CN(CCNC(=S)Nc2ccc3nn[nH]c3c2)c2ccc(Br)cn2)cc1Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H18BrCl2N7S/c22-14-2-6-20(26-11-14)31(12-13-1-4-16(23)17(24)9-13)8-7-25-21(32)27-15-3-5-18-19(10-15)29-30-28-18/h1-6,9-11H,7-8,12H2,(H2,25,27,32)(H,28,29,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
XMWODWJSEXZFLR-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