General Information of the Compound
| Compound ID |
CP0556614
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US10000468, Example 24
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H26F3N5O2
|
||||||||||||||||||
| Molecular Weight |
449.477
|
||||||||||||||||||
| Canonical SMILES |
CC(C)Nc1ncc(nc1N1CCC(CC1)Oc1ccc(F)cc1F)C(=O)N1CC(F)C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H26F3N5O2/c1-13(2)27-20-21(28-18(10-26-20)22(31)30-11-15(24)12-30)29-7-5-16(6-8-29)32-19-4-3-14(23)9-17(19)25/h3-4,9-10,13,15-16H,5-8,11-12H2,1-2H3,(H,26,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
RYAJJIYVDSVRMA-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