General Information of the Compound
| Compound ID |
CP0553791
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8969325, 154
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H23FN4O3
|
||||||||||||||||||
| Molecular Weight |
410.449
|
||||||||||||||||||
| Canonical SMILES |
CN1C(=O)NCc2c(NC(=O)N[C@@H]3CC4(CCC4)Oc4ccc(F)cc34)cccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H23FN4O3/c1-27-18-5-2-4-16(15(18)12-24-21(27)29)25-20(28)26-17-11-22(8-3-9-22)30-19-7-6-13(23)10-14(17)19/h2,4-7,10,17H,3,8-9,11-12H2,1H3,(H,24,29)(H2,25,26,28)/t17-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
BRXAKPDJXFTUBN-QGZVFWFLSA-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