General Information of the Compound
| Compound ID |
CP0413122
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(1,3-benzodioxol-5-ylmethylamino)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-(1-propylpyrazol-4-yl)pyridine-3-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H29N5O5
|
||||||||||||||||||
| Molecular Weight |
527.581
|
||||||||||||||||||
| Canonical SMILES |
CCCn1cc(cn1)-c1cnc(NCc2ccc3OCOc3c2)c(c1)C(=O)NCC1COc2ccccc2O1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H29N5O5/c1-2-9-34-16-21(14-33-34)20-11-23(29(35)32-15-22-17-36-24-5-3-4-6-26(24)39-22)28(31-13-20)30-12-19-7-8-25-27(10-19)38-18-37-25/h3-8,10-11,13-14,16,22H,2,9,12,15,17-18H2,1H3,(H,30,31)(H,32,35)
Show/Hide
|
||||||||||||||||||
| InChIKey |
QEJIJSKOYQRYLB-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