General Information of the Compound
| Compound ID |
CP0412198
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9199981, F153
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H25F2N5O3
|
||||||||||||||||||
| Molecular Weight |
481.503
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc(cc1NC(=O)c1cnc2ccc(CC(C)(C)O)cn12)-c1noc(n1)C1CC(F)(F)C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H25F2N5O3/c1-14-4-6-16(21-30-23(35-31-21)17-10-25(26,27)11-17)8-18(14)29-22(33)19-12-28-20-7-5-15(13-32(19)20)9-24(2,3)34/h4-8,12-13,17,34H,9-11H2,1-3H3,(H,29,33)
Show/Hide
|
||||||||||||||||||
| InChIKey |
FSMAZLAJTHEIGF-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