General Information of the Compound
| Compound ID |
CP0458074
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
26-fluoro-5-methyl-7-oxa-4,5,13,20,22,27-hexazapentacyclo[22.3.1.02,6.013,21.014,19]octacosa-1(27),2(6),3,14,16,18,20,24(28),25-nonaen-23-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H21FN6O2
|
||||||||||||||||||
| Molecular Weight |
420.448
|
||||||||||||||||||
| Canonical SMILES |
Cn1ncc-2c1OCCCCCN1\C(Nc3ccccc13)=N\C(=O)c1cc(F)nc-2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H21FN6O2/c1-28-21-15(13-24-28)17-11-14(12-19(23)25-17)20(30)27-22-26-16-7-3-4-8-18(16)29(22)9-5-2-6-10-31-21/h3-4,7-8,11-13H,2,5-6,9-10H2,1H3,(H,26,27,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
XUHCGNIUATXAJQ-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