General Information of the Compound
| Compound ID |
CP0461609
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[2-[[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]carbamoyl]-4-chlorophenyl]pyridine-2-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H25ClN4O4
|
||||||||||||||||||
| Molecular Weight |
492.963
|
||||||||||||||||||
| Canonical SMILES |
Clc1ccc(NC(=O)c2ccccn2)c(c1)C(=O)NC1CCN(Cc2ccc3OCOc3c2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H25ClN4O4/c27-18-5-6-21(30-26(33)22-3-1-2-10-28-22)20(14-18)25(32)29-19-8-11-31(12-9-19)15-17-4-7-23-24(13-17)35-16-34-23/h1-7,10,13-14,19H,8-9,11-12,15-16H2,(H,29,32)(H,30,33)
Show/Hide
|
||||||||||||||||||
| InChIKey |
MJIKVOBLHMOFQR-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