General Information of the Compound
| Compound ID |
CP0486325
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9409915, 63
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H28ClF3N6
|
||||||||||||||||||
| Molecular Weight |
516.999
|
||||||||||||||||||
| Canonical SMILES |
Cn1nc(c(Cl)c1-c1nc2cc(nc(N3CCCCC3)c2[nH]1)-c1ccccc1C(F)(F)F)C(C)(C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H28ClF3N6/c1-25(2,3)22-19(27)21(35(4)34-22)23-31-18-14-17(15-10-6-7-11-16(15)26(28,29)30)32-24(20(18)33-23)36-12-8-5-9-13-36/h6-7,10-11,14H,5,8-9,12-13H2,1-4H3,(H,31,33)
Show/Hide
|
||||||||||||||||||
| InChIKey |
KCRCDGIZDCLCKZ-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