General Information of the Compound
| Compound ID |
CP0383199
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-{(E)-2-[({[2,4-Dichloro-3-(2-methyl-quinoxalin-5-yloxymethyl)-phenyl]-methyl-carbamoyl}-methyl)-carbamoyl]-vinyl}-N-methyl-benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H27Cl2N5O4
|
||||||||||||||||||
| Molecular Weight |
592.483
|
||||||||||||||||||
| Canonical SMILES |
CNC(=O)c1ccc(\C=C\C(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccc4nc(C)cnc34)c2Cl)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H27Cl2N5O4/c1-18-15-35-29-23(36-18)5-4-6-25(29)41-17-21-22(31)12-13-24(28(21)32)37(3)27(39)16-34-26(38)14-9-19-7-10-20(11-8-19)30(40)33-2/h4-15H,16-17H2,1-3H3,(H,33,40)(H,34,38)/b14-9+
Show/Hide
|
||||||||||||||||||
| InChIKey |
VSQGHQJEJGIEDQ-NTEUORMPSA-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