General Information of the Compound
| Compound ID |
CP0567812
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9012651, 259
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H36FN3O4
|
||||||||||||||||||
| Molecular Weight |
533.644
|
||||||||||||||||||
| Canonical SMILES |
CC(C)[C@H](CO)NCc1nc(ccc1F)-c1cc2c(OCc3ccccc3)cccc2n1C(=O)OC(C)(C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H36FN3O4/c1-20(2)26(18-36)33-17-25-23(32)14-15-24(34-25)28-16-22-27(35(28)30(37)39-31(3,4)5)12-9-13-29(22)38-19-21-10-7-6-8-11-21/h6-16,20,26,33,36H,17-19H2,1-5H3/t26-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
VXQRJTQHPLZUIQ-SANMLTNESA-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