General Information of the Compound
| Compound ID |
CP0374340
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[5-tert-butyl-2-(4-fluorophenyl)pyrazol-3-yl]-3-[4-[(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H26FN7O3
|
||||||||||||||||||
| Molecular Weight |
515.549
|
||||||||||||||||||
| Canonical SMILES |
Cn1c2c(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(F)cc4)C(C)(C)C)cc3)ccnc2[nH]c1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H26FN7O3/c1-27(2,3)21-15-22(35(33-21)18-9-5-16(28)6-10-18)31-25(36)30-17-7-11-19(12-8-17)38-20-13-14-29-24-23(20)34(4)26(37)32-24/h5-15H,1-4H3,(H,29,32,37)(H2,30,31,36)
Show/Hide
|
||||||||||||||||||
| InChIKey |
YRSOPTQAYWNZJR-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