General Information of the Compound
| Compound ID |
CP0546762
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL4126833
Show/Hide
|
||||||||||||||||||
| Formula |
C27H22FNO6
|
||||||||||||||||||
| Molecular Weight |
475.472
|
||||||||||||||||||
| Canonical SMILES |
CCOC(=O)c1ccc(cc1)N1C(C(C(=O)c2ccc(OC)cc2)=C(O)C1=O)c1cccc(F)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H22FNO6/c1-3-35-27(33)17-7-11-20(12-8-17)29-23(18-5-4-6-19(28)15-18)22(25(31)26(29)32)24(30)16-9-13-21(34-2)14-10-16/h4-15,23,31H,3H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
RDFJZGBXRMOGRW-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 | |||||||||||||||||||
| 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