General Information of the Compound
| Compound ID |
CP0539913
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[5-[3-chloro-4-(2-phenylpropan-2-ylamino)quinolin-6-yl]pyrimidin-2-yl]propan-2-ol
Show/Hide
|
||||||||||||||||||
| Formula |
C25H25ClN4O
|
||||||||||||||||||
| Molecular Weight |
432.955
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(O)c1ncc(cn1)-c1ccc2ncc(Cl)c(NC(C)(C)c3ccccc3)c2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H25ClN4O/c1-24(2,18-8-6-5-7-9-18)30-22-19-12-16(10-11-21(19)27-15-20(22)26)17-13-28-23(29-14-17)25(3,4)31/h5-15,31H,1-4H3,(H,27,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
NKRBYYXQWSYIRP-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