General Information of the Compound
| Compound ID |
CP0483378
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9388171, I-5
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H22ClFN4O3
|
||||||||||||||||||
| Molecular Weight |
444.894
|
||||||||||||||||||
| Canonical SMILES |
OC[C@@H](NC(=O)c1ccc2cnc(NC3CCOCC3)cc2n1)c1ccc(Cl)c(F)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H22ClFN4O3/c23-16-3-1-13(9-17(16)24)20(12-29)28-22(30)18-4-2-14-11-25-21(10-19(14)27-18)26-15-5-7-31-8-6-15/h1-4,9-11,15,20,29H,5-8,12H2,(H,25,26)(H,28,30)/t20-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
SDLDUDKFDXGWAV-HXUWFJFHSA-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