General Information of the Compound
| Compound ID |
CP0706900
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
Rac-2'-chloro-N-((2,3-dihydrobenzo[b][1,4]dioxin-2-yl)methyl)-6-((2,3-dihydrobenzofuran-6-yl)methylamino)-3,4'-bipyridine-5-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H25ClN4O4
|
||||||||||||||||||
| Molecular Weight |
528.996
|
||||||||||||||||||
| Canonical SMILES |
O=C(NCC1COc2ccccc2O1)c1cc(-c2ccnc(Cl)c2)cnc1NCc1ccc2c(c1)OCC2
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H25ClN4O4/c30-27-13-20(7-9-31-27)21-12-23(29(35)34-16-22-17-37-24-3-1-2-4-25(24)38-22)28(33-15-21)32-14-18-5-6-19-8-10-36-26(19)11-18/h1-7,9,11-13,15,22H,8,10,14,16-17H2,(H,32,33)(H,34,35)
Show/Hide
|
||||||||||||||||||
| InChIKey |
RIUCUNLGSJIFLP-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