General Information of the Compound
| Compound ID |
CP0501381
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(5-chloro-6-(4-(1-(4-chlorobenzyl)piperidin-4-yl)piperazin-1-yl)pyridin-3-yl)-N-(3,4-dichlorobenzyl)methanamine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H33Cl4N5
|
||||||||||||||||||
| Molecular Weight |
593.43
|
||||||||||||||||||
| Canonical SMILES |
Clc1ccc(CN2CCC(CC2)N2CCN(CC2)c2ncc(CNCc3ccc(Cl)c(Cl)c3)cc2Cl)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H33Cl4N5/c30-24-4-1-21(2-5-24)20-36-9-7-25(8-10-36)37-11-13-38(14-12-37)29-28(33)16-23(19-35-29)18-34-17-22-3-6-26(31)27(32)15-22/h1-6,15-16,19,25,34H,7-14,17-18,20H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
HWXBHDJUVCXZCH-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