General Information of the Compound
| Compound ID |
CP0155422
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]-1-(2-hydroxy-3-methylbutyl)-5-methyl-3-oxo-2-phenylpyrazole-4-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C32H31FN4O5
|
||||||||||||||||||
| Molecular Weight |
570.621
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc2c(Oc3ccc(NC(=O)c4c(C)n(CC(O)C(C)C)n(-c5ccccc5)c4=O)cc3F)ccnc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C32H31FN4O5/c1-19(2)27(38)18-36-20(3)30(32(40)37(36)22-8-6-5-7-9-22)31(39)35-21-10-13-29(25(33)16-21)42-28-14-15-34-26-17-23(41-4)11-12-24(26)28/h5-17,19,27,38H,18H2,1-4H3,(H,35,39)
Show/Hide
|
||||||||||||||||||
| InChIKey |
YMFWEIKNDBLHIR-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