General Information of the Compound
| Compound ID |
CP0470706
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-{(E)-2-[({[2,4-Dimethyl-3-(3-methyl-quinoxalin-5-yloxymethyl)-phenyl]-methyl-carbamoyl}-methyl)-carbamoyl]-vinyl}-N,N-dimethyl-benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C33H35N5O4
|
||||||||||||||||||
| Molecular Weight |
565.674
|
||||||||||||||||||
| Canonical SMILES |
CN(C)C(=O)c1ccc(\C=C\C(=O)NCC(=O)N(C)c2ccc(C)c(COc3cccc4ncc(C)nc34)c2C)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C33H35N5O4/c1-21-10-16-28(23(3)26(21)20-42-29-9-7-8-27-32(29)36-22(2)18-34-27)38(6)31(40)19-35-30(39)17-13-24-11-14-25(15-12-24)33(41)37(4)5/h7-18H,19-20H2,1-6H3,(H,35,39)/b17-13+
Show/Hide
|
||||||||||||||||||
| InChIKey |
LJFLJRTZNKPNKB-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