General Information of the Compound
| Compound ID |
CP0553790
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8969325, 137
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H23F3N4O4
|
||||||||||||||||||
| Molecular Weight |
464.444
|
||||||||||||||||||
| Canonical SMILES |
CN1C(=O)NCc2c(NC(=O)N[C@@H]3CC(C)(C)Oc4cc(OC(F)(F)F)ccc34)cccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H23F3N4O4/c1-21(2)10-16(13-8-7-12(9-18(13)33-21)32-22(23,24)25)28-19(30)27-15-5-4-6-17-14(15)11-26-20(31)29(17)3/h4-9,16H,10-11H2,1-3H3,(H,26,31)(H2,27,28,30)/t16-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
NSISNIDGARYMIS-MRXNPFEDSA-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