General Information of the Compound
| Compound ID |
CP0373067
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(5-tert-butyl-2-phenylpyrazol-3-yl)-3-[4-[[2-(dimethylamino)-1H-imidazo[4,5-b]pyridin-7-yl]oxy]-2-fluorophenyl]urea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H29FN8O2
|
||||||||||||||||||
| Molecular Weight |
528.592
|
||||||||||||||||||
| Canonical SMILES |
CN(C)c1nc2c(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccccc4)C(C)(C)C)c(F)c3)ccnc2[nH]1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H29FN8O2/c1-28(2,3)22-16-23(37(35-22)17-9-7-6-8-10-17)32-27(38)31-20-12-11-18(15-19(20)29)39-21-13-14-30-25-24(21)33-26(34-25)36(4)5/h6-16H,1-5H3,(H,30,33,34)(H2,31,32,38)
Show/Hide
|
||||||||||||||||||
| InChIKey |
NBCIUMIGGFIGPF-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