General Information of the Compound
| Compound ID |
CP0478610
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9193726, 40
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H27FN4O3
|
||||||||||||||||||
| Molecular Weight |
450.514
|
||||||||||||||||||
| Canonical SMILES |
CC(C)c1c(F)cccc1O[C@@H]1CC[C@H]1N1CCn2c(ccc(-n3cnc(C)c3)c2=O)C1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H27FN4O3/c1-15(2)23-17(26)5-4-6-22(23)33-21-10-9-18(21)29-11-12-30-20(25(29)32)8-7-19(24(30)31)28-13-16(3)27-14-28/h4-8,13-15,18,21H,9-12H2,1-3H3/t18-,21-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
PHGDTTZHEJHGLG-WIYYLYMNSA-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