General Information of the Compound
| Compound ID |
CP0429257
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-[2-chloro-6-[[1-(4-chlorophenyl)sulfonyl-2,3,4,5-tetrahydro-1-benzazepin-8-yl]oxy]pyridin-4-yl]-3-cyclopropyl-1,2,4-oxadiazole
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H22Cl2N4O4S
|
||||||||||||||||||
| Molecular Weight |
557.459
|
||||||||||||||||||
| Canonical SMILES |
Clc1ccc(cc1)S(=O)(=O)N1CCCCc2ccc(Oc3cc(cc(Cl)n3)-c3nc(no3)C3CC3)cc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H22Cl2N4O4S/c27-19-7-10-21(11-8-19)37(33,34)32-12-2-1-3-16-6-9-20(15-22(16)32)35-24-14-18(13-23(28)29-24)26-30-25(31-36-26)17-4-5-17/h6-11,13-15,17H,1-5,12H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
JQHVSUQVTZTZSV-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