General Information of the Compound
| Compound ID |
CP0500951
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9481682, 123
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H23F3N8O2
|
||||||||||||||||||
| Molecular Weight |
560.54
|
||||||||||||||||||
| Canonical SMILES |
Nc1nccn2c(nc(-c3ccc(cc3C#N)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CC[C@H]2CCC(=O)N2C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H23F3N8O2/c29-28(30,31)18-7-8-34-21(12-18)36-27(41)15-2-5-20(17(11-15)13-32)23-24-25(33)35-9-10-38(24)26(37-23)16-1-3-19-4-6-22(40)39(19)14-16/h2,5,7-12,16,19H,1,3-4,6,14H2,(H2,33,35)(H,34,36,41)/t16-,19+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
KZJQGMAQZXHIHD-APWZRJJASA-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