General Information of the Compound
| Compound ID |
CP0527310
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9199981, F5
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H21F2N5O2
|
||||||||||||||||||
| Molecular Weight |
437.45
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc(cc1NC(=O)c1cnc2ccccn12)-c1noc(n1)C1CCC(F)(F)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H21F2N5O2/c1-14-5-6-16(20-28-22(32-29-20)15-7-9-23(24,25)10-8-15)12-17(14)27-21(31)18-13-26-19-4-2-3-11-30(18)19/h2-6,11-13,15H,7-10H2,1H3,(H,27,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
BMCCLRYHDMTXEF-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 | |||||||||||||||||||
| 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