General Information of the Compound
| Compound ID |
CP0512120
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-((E)-2-{[2',4'-Dimethyl-3'-(2-methyl-quinolin-8-yloxymethyl)-biphenyl-2-ylmethyl]-carbamoyl}-vinyl)-N-methyl-benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C37H35N3O3
|
||||||||||||||||||
| Molecular Weight |
569.705
|
||||||||||||||||||
| Canonical SMILES |
CNC(=O)c1ccc(\C=C\C(=O)NCc2ccccc2-c2ccc(C)c(COc3cccc4ccc(C)nc34)c2C)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C37H35N3O3/c1-24-12-20-31(26(3)33(24)23-43-34-11-7-9-28-17-13-25(2)40-36(28)34)32-10-6-5-8-30(32)22-39-35(41)21-16-27-14-18-29(19-15-27)37(42)38-4/h5-21H,22-23H2,1-4H3,(H,38,42)(H,39,41)/b21-16+
Show/Hide
|
||||||||||||||||||
| InChIKey |
AFUNWCBOHPULNY-LTGZKZEYSA-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