General Information of the Compound
| Compound ID |
CP0490557
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8802711, 117
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H25FN4O3
|
||||||||||||||||||
| Molecular Weight |
412.465
|
||||||||||||||||||
| Canonical SMILES |
OCCN1Cc2ccc(NC(=O)N[C@H]3CC[C@H](C3)c3ccccc3F)cc2NC1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H25FN4O3/c23-19-4-2-1-3-18(19)14-5-7-16(11-14)24-21(29)25-17-8-6-15-13-27(9-10-28)22(30)26-20(15)12-17/h1-4,6,8,12,14,16,28H,5,7,9-11,13H2,(H,26,30)(H2,24,25,29)/t14-,16+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
HCJRRLHGQPTXJV-ZBFHGGJFSA-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