General Information of the Compound
| Compound ID |
CP0445201
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(E)-N-({[2,4-Dimethyl-3-(3-methyl-quinoxalin-5-yloxymethyl)-phenyl]-methyl-carbamoyl}-methyl)-3-[4-(2-oxo-pyrrolidin-1-yl)-phenyl]-acrylamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C34H35N5O4
|
||||||||||||||||||
| Molecular Weight |
577.685
|
||||||||||||||||||
| Canonical SMILES |
CN(C(=O)CNC(=O)\C=C\c1ccc(cc1)N1CCCC1=O)c1ccc(C)c(COc2cccc3ncc(C)nc23)c1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C34H35N5O4/c1-22-10-16-29(24(3)27(22)21-43-30-8-5-7-28-34(30)37-23(2)19-35-28)38(4)33(42)20-36-31(40)17-13-25-11-14-26(15-12-25)39-18-6-9-32(39)41/h5,7-8,10-17,19H,6,9,18,20-21H2,1-4H3,(H,36,40)/b17-13+
Show/Hide
|
||||||||||||||||||
| InChIKey |
MQMXKKJATHAMSI-GHRIWEEISA-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