General Information of the Compound
| Compound ID |
CP0135686
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[5-[3-chloro-4-(2,5-dimethylanilino)quinolin-6-yl]pyrimidin-2-yl]propan-2-ol
Show/Hide
|
||||||||||||||||||
| Formula |
C24H23ClN4O
|
||||||||||||||||||
| Molecular Weight |
418.928
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc(C)c(Nc2c(Cl)cnc3ccc(cc23)-c2cnc(nc2)C(C)(C)O)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H23ClN4O/c1-14-5-6-15(2)21(9-14)29-22-18-10-16(7-8-20(18)26-13-19(22)25)17-11-27-23(28-12-17)24(3,4)30/h5-13,30H,1-4H3,(H,26,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
CSGOXEMKTHBXKE-UHFFFAOYSA-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 | |||||||||||||||||||
| 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