General Information of the Compound
| Compound ID |
CP0402753
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9481682, 166
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H22F5N7O2
|
||||||||||||||||||
| Molecular Weight |
571.51
|
||||||||||||||||||
| Canonical SMILES |
Nc1ncc(F)n2c(nc(-c3ccc(cc3F)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CC[C@H]2CCC(=O)N2C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H22F5N7O2/c28-18-9-13(26(41)36-20-10-15(7-8-34-20)27(30,31)32)2-5-17(18)22-23-24(33)35-11-19(29)39(23)25(37-22)14-1-3-16-4-6-21(40)38(16)12-14/h2,5,7-11,14,16H,1,3-4,6,12H2,(H2,33,35)(H,34,36,41)/t14-,16+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
WMHYSDYGVYTECT-ZBFHGGJFSA-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