General Information of the Compound
| Compound ID |
CP0402257
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(E)-3-(6-Acetylamino-pyridin-3-yl)-N-({[2,4-dichloro-3-(2-methyl-4-morpholin-4-yl-quinolin-8-yloxymethyl)-phenyl]-methyl-carbamoyl}-methyl)-acrylamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C34H34Cl2N6O5
|
||||||||||||||||||
| Molecular Weight |
677.589
|
||||||||||||||||||
| Canonical SMILES |
CN(C(=O)CNC(=O)\C=C\c1ccc(NC(C)=O)nc1)c1ccc(Cl)c(COc2cccc3c(cc(C)nc23)N2CCOCC2)c1Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C34H34Cl2N6O5/c1-21-17-28(42-13-15-46-16-14-42)24-5-4-6-29(34(24)39-21)47-20-25-26(35)9-10-27(33(25)36)41(3)32(45)19-38-31(44)12-8-23-7-11-30(37-18-23)40-22(2)43/h4-12,17-18H,13-16,19-20H2,1-3H3,(H,38,44)(H,37,40,43)/b12-8+
Show/Hide
|
||||||||||||||||||
| InChIKey |
HRGOUVFDVLOJOI-XYOKQWHBSA-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