General Information of the Compound
| Compound ID |
CP0574133
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9150546, I-285
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H24ClFN4O4
|
||||||||||||||||||
| Molecular Weight |
462.909
|
||||||||||||||||||
| Canonical SMILES |
CC(C)Oc1ccc(Nc2nc(=O)n(CCCO)c(=O)n2Cc2ccc(Cl)cc2)cc1F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H24ClFN4O4/c1-14(2)32-19-9-8-17(12-18(19)24)25-20-26-21(30)27(10-3-11-29)22(31)28(20)13-15-4-6-16(23)7-5-15/h4-9,12,14,29H,3,10-11,13H2,1-2H3,(H,25,26,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
NOTRDLDWXSPKCF-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