General Information of the Compound
| Compound ID |
CP0474899
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[2-[7-[(3,4-dimethylphenyl)methylamino]-3-(4-methoxyphenyl)-2-oxoquinoxalin-1-yl]ethyl]acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H30N4O3
|
||||||||||||||||||
| Molecular Weight |
470.573
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(cc1)-c1nc2ccc(NCc3ccc(C)c(C)c3)cc2n(CCNC(C)=O)c1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H30N4O3/c1-18-5-6-21(15-19(18)2)17-30-23-9-12-25-26(16-23)32(14-13-29-20(3)33)28(34)27(31-25)22-7-10-24(35-4)11-8-22/h5-12,15-16,30H,13-14,17H2,1-4H3,(H,29,33)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ITRSXXVLXWPSCR-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