General Information of the Compound
| Compound ID |
CP0389726
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 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]naphthalen-1-yl]urea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H28FN7O3
|
||||||||||||||||||
| Molecular Weight |
565.609
|
||||||||||||||||||
| Canonical SMILES |
Cn1c2c(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(F)cc4)C(C)(C)C)c4ccccc34)ccnc2[nH]c1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H28FN7O3/c1-31(2,3)25-17-26(39(37-25)19-11-9-18(32)10-12-19)35-29(40)34-22-13-14-23(21-8-6-5-7-20(21)22)42-24-15-16-33-28-27(24)38(4)30(41)36-28/h5-17H,1-4H3,(H,33,36,41)(H2,34,35,40)
Show/Hide
|
||||||||||||||||||
| InChIKey |
GKJTUMVXJVVWIO-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