General Information of the Compound
| Compound ID |
CP0557232
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[5-[3,8-dichloro-4-[1-(2-fluorophenyl)ethylamino]quinolin-6-yl]pyrimidin-2-yl]propan-2-ol
Show/Hide
|
||||||||||||||||||
| Formula |
C24H21Cl2FN4O
|
||||||||||||||||||
| Molecular Weight |
471.363
|
||||||||||||||||||
| Canonical SMILES |
CC(Nc1c(Cl)cnc2c(Cl)cc(cc12)-c1cnc(nc1)C(C)(C)O)c1ccccc1F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H21Cl2FN4O/c1-13(16-6-4-5-7-20(16)27)31-22-17-8-14(9-18(25)21(17)28-12-19(22)26)15-10-29-23(30-11-15)24(2,3)32/h4-13,32H,1-3H3,(H,28,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
AQRGNGAYLNKGRB-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