General Information of the Compound
| Compound ID |
CP0515675
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[6-chloro-5-[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)pyridin-4-yl]oxy-1-benzofuran-3-yl]acetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H22ClN3O5
|
||||||||||||||||||
| Molecular Weight |
503.942
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)Cc1coc2cc(Cl)c(Oc3ccncc3C(=O)N3CCN(C4CC4)c4ccccc34)cc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H22ClN3O5/c28-20-13-24-18(16(15-35-24)11-26(32)33)12-25(20)36-23-7-8-29-14-19(23)27(34)31-10-9-30(17-5-6-17)21-3-1-2-4-22(21)31/h1-4,7-8,12-15,17H,5-6,9-11H2,(H,32,33)
Show/Hide
|
||||||||||||||||||
| InChIKey |
SGNWXKVSGHHLMZ-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