General Information of the Compound
| Compound ID |
CP0918917
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-{(E)-2-[({[2,4-Dichloro-3-(4-dimethylamino-2-methyl-quinolin-8-yloxymethyl)-phenyl]-methyl-carbamoyl}-methyl)-carbamoyl]-vinyl}-N-pyridin-4-yl-benzamide; Trihydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C37H35Cl3N6O4
|
||||||||||||||||||
| Molecular Weight |
734.084
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc(N(C)C)c2cccc(OCc3c(Cl)ccc(N(C)C(=O)CNC(=O)/C=C/c4ccc(C(=O)Nc5ccncc5)cc4)c3Cl)c2n1.Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C37H34Cl2N6O4.ClH/c1-23-20-31(44(2)3)27-6-5-7-32(36(27)42-23)49-22-28-29(38)13-14-30(35(28)39)45(4)34(47)21-41-33(46)15-10-24-8-11-25(12-9-24)37(48)43-26-16-18-40-19-17-26;/h5-20H,21-22H2,1-4H3,(H,41,46)(H,40,43,48);1H/b15-10+;
Show/Hide
|
||||||||||||||||||
| InChIKey |
WLIPZEMRQZTSTJ-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