General Information of the Compound
| Compound ID |
CP0525640
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[2-methyl-5-(1-methylpyrazol-4-yl)phenyl]-4-[[5-methyl-4-[4-(trifluoromethoxy)phenyl]pyrimidin-2-yl]amino]benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H25F3N6O2
|
||||||||||||||||||
| Molecular Weight |
558.564
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc(cc1NC(=O)c1ccc(Nc2ncc(C)c(n2)-c2ccc(OC(F)(F)F)cc2)cc1)-c1cnn(C)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H25F3N6O2/c1-18-4-5-22(23-16-35-39(3)17-23)14-26(18)37-28(40)21-6-10-24(11-7-21)36-29-34-15-19(2)27(38-29)20-8-12-25(13-9-20)41-30(31,32)33/h4-17H,1-3H3,(H,37,40)(H,34,36,38)
Show/Hide
|
||||||||||||||||||
| InChIKey |
NJEAXSBRSXUZLY-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 | |||||||||||||||||||
| 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