General Information of the Compound
| Compound ID |
CP0410449
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[[2-(5-quinolin-3-ylindol-1-yl)acetyl]amino]acetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H17N3O3
|
||||||||||||||||||
| Molecular Weight |
359.385
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)CNC(=O)Cn1ccc2cc(ccc12)-c1cnc2ccccc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H17N3O3/c25-20(23-12-21(26)27)13-24-8-7-16-9-14(5-6-19(16)24)17-10-15-3-1-2-4-18(15)22-11-17/h1-11H,12-13H2,(H,23,25)(H,26,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ISALHTCQJORZRQ-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