General Information of the Compound
| Compound ID |
CP0212418
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8680275, 192
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H20FN9O
|
||||||||||||||||||
| Molecular Weight |
409.429
|
||||||||||||||||||
| Canonical SMILES |
Nc1cc(nc(N)n1)N1C[C@@H]2CCN(C[C@H]12)C(=O)c1cc(F)ccc1-n1nccn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H20FN9O/c20-12-1-2-14(29-23-4-5-24-29)13(7-12)18(30)27-6-3-11-9-28(15(11)10-27)17-8-16(21)25-19(22)26-17/h1-2,4-5,7-8,11,15H,3,6,9-10H2,(H4,21,22,25,26)/t11-,15-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
MEVSCUGONDYNJE-NHYWBVRUSA-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