General Information of the Compound
| Compound ID |
CP0538313
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(3,4-dichlorophenyl)-[4-[[[6-(1,3-thiazol-2-yl)pyridin-2-yl]methylamino]methyl]piperidin-1-yl]methanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H22Cl2N4OS
|
||||||||||||||||||
| Molecular Weight |
461.418
|
||||||||||||||||||
| Canonical SMILES |
Clc1ccc(cc1Cl)C(=O)N1CCC(CNCc2cccc(n2)-c2nccs2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H22Cl2N4OS/c23-18-5-4-16(12-19(18)24)22(29)28-9-6-15(7-10-28)13-25-14-17-2-1-3-20(27-17)21-26-8-11-30-21/h1-5,8,11-12,15,25H,6-7,9-10,13-14H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
NTCYZWZXRNJMAE-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