General Information of the Compound
| Compound ID |
CP0486324
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9409915, 52
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H30ClF3N6O
|
||||||||||||||||||
| Molecular Weight |
547.025
|
||||||||||||||||||
| Canonical SMILES |
Cn1nc(c(Cl)c1-c1nc2cc(nc(OCCN3CCCC3)c2[nH]1)-c1ccccc1C(F)(F)F)C(C)(C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H30ClF3N6O/c1-26(2,3)23-20(28)22(36(4)35-23)24-32-19-15-18(16-9-5-6-10-17(16)27(29,30)31)33-25(21(19)34-24)38-14-13-37-11-7-8-12-37/h5-6,9-10,15H,7-8,11-14H2,1-4H3,(H,32,34)
Show/Hide
|
||||||||||||||||||
| InChIKey |
OSUBSFWCZBHSNG-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