General Information of the Compound
| Compound ID |
CP0517897
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(E)-3-(6-Acetylamino-pyridin-3-yl)-N-({[2,4-dimethyl-3-(3-methyl-quinoxalin-5-yloxymethyl)-phenyl]-methyl-carbamoyl}-methyl)-acrylamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H32N6O4
|
||||||||||||||||||
| Molecular Weight |
552.635
|
||||||||||||||||||
| Canonical SMILES |
CN(C(=O)CNC(=O)\C=C\c1ccc(NC(C)=O)nc1)c1ccc(C)c(COc2cccc3ncc(C)nc23)c1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H32N6O4/c1-19-9-12-26(21(3)24(19)18-41-27-8-6-7-25-31(27)35-20(2)15-32-25)37(5)30(40)17-34-29(39)14-11-23-10-13-28(33-16-23)36-22(4)38/h6-16H,17-18H2,1-5H3,(H,34,39)(H,33,36,38)/b14-11+
Show/Hide
|
||||||||||||||||||
| InChIKey |
FSZTYVUALDTBLQ-SDNWHVSQSA-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