General Information of the Compound
| Compound ID |
CP0314833
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8664236, A18
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H23FN8
|
||||||||||||||||||
| Molecular Weight |
454.513
|
||||||||||||||||||
| Canonical SMILES |
CC(C)n1cc(cn1)-c1cnc2[nH]cc(-c3cc(nc(N)n3)N3CCc4cc(F)ccc34)c2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H23FN8/c1-14(2)34-13-17(11-30-34)16-8-19-20(12-29-24(19)28-10-16)21-9-23(32-25(27)31-21)33-6-5-15-7-18(26)3-4-22(15)33/h3-4,7-14H,5-6H2,1-2H3,(H,28,29)(H2,27,31,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
FNVONFNKBRTATM-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