General Information of the Compound
| Compound ID |
CP0773582
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-{(E)-2-[({[2,4-Dichloro-3-(4-methoxy-2-methyl-quinolin-8-yloxymethyl)-phenyl]-methyl-carbamoyl}-methyl)-carbamoyl]-vinyl}-N-methyl-benzamide hydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C32H31Cl3N4O5
|
||||||||||||||||||
| Molecular Weight |
657.982
|
||||||||||||||||||
| Canonical SMILES |
CNC(=O)c1ccc(/C=C/C(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccc4c(OC)cc(C)nc34)c2Cl)cc1.Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C32H30Cl2N4O5.ClH/c1-19-16-27(42-4)22-6-5-7-26(31(22)37-19)43-18-23-24(33)13-14-25(30(23)34)38(3)29(40)17-36-28(39)15-10-20-8-11-21(12-9-20)32(41)35-2;/h5-16H,17-18H2,1-4H3,(H,35,41)(H,36,39);1H/b15-10+;
Show/Hide
|
||||||||||||||||||
| InChIKey |
PTFZAWMCKQYCDF-GYVLLFFHSA-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