General Information of the Compound
| Compound ID |
CP0691220
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-{(E)-2-[({[2,4-Dichloro-3-(4-isopropoxy-2-methyl-quinolin-8-yloxymethyl)-phenyl]-methyl-carbamoyl}-methyl)-carbamoyl]-vinyl}-N-methyl-benzamide hydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C34H35Cl3N4O5
|
||||||||||||||||||
| Molecular Weight |
686.036
|
||||||||||||||||||
| Canonical SMILES |
CNC(=O)c1ccc(/C=C/C(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccc4c(OC(C)C)cc(C)nc34)c2Cl)cc1.Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C34H34Cl2N4O5.ClH/c1-20(2)45-29-17-21(3)39-33-24(29)7-6-8-28(33)44-19-25-26(35)14-15-27(32(25)36)40(5)31(42)18-38-30(41)16-11-22-9-12-23(13-10-22)34(43)37-4;/h6-17,20H,18-19H2,1-5H3,(H,37,43)(H,38,41);1H/b16-11+;
Show/Hide
|
||||||||||||||||||
| InChIKey |
IVNMBQUGFCEBCD-YFMOEUEHSA-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