General Information of the Compound
| Compound ID |
CP0534322
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-chloro-6-(4-(1-(4-methoxybenzyl)piperidin-4-yl)piperazin-1-yl)-N-(2-phenoxyethyl)nicotinamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H38ClN5O3
|
||||||||||||||||||
| Molecular Weight |
564.13
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(CN2CCC(CC2)N2CCN(CC2)c2ncc(cc2Cl)C(=O)NCCOc2ccccc2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H38ClN5O3/c1-39-27-9-7-24(8-10-27)23-35-14-11-26(12-15-35)36-16-18-37(19-17-36)30-29(32)21-25(22-34-30)31(38)33-13-20-40-28-5-3-2-4-6-28/h2-10,21-22,26H,11-20,23H2,1H3,(H,33,38)
Show/Hide
|
||||||||||||||||||
| InChIKey |
JSGXRSHSVKALPE-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