General Information of the Compound
| Compound ID |
CP0431303
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H25Cl2N3O2S2
|
||||||||||||||||||
| Molecular Weight |
510.512
|
||||||||||||||||||
| Canonical SMILES |
CCOc1ccc2nc(SCC(=O)NC3CCN(Cc4ccc(Cl)c(Cl)c4)CC3)sc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H25Cl2N3O2S2/c1-2-30-17-4-6-20-21(12-17)32-23(27-20)31-14-22(29)26-16-7-9-28(10-8-16)13-15-3-5-18(24)19(25)11-15/h3-6,11-12,16H,2,7-10,13-14H2,1H3,(H,26,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
DMLMULMWAGUVQC-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: PT01070, C-C chemokine receptor type 1
Protein ID: PT01215, C-C chemokine receptor type 3