General Information of the Compound
| Compound ID |
CP0413159
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9481682, 130
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H25F4N7O3
|
||||||||||||||||||
| Molecular Weight |
583.546
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(C(=O)Nc2cc(ccn2)C(F)(F)F)c(F)cc1-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H25F4N7O3/c1-42-20-12-17(27(41)36-21-10-15(6-7-34-21)28(30,31)32)19(29)11-18(20)23-24-25(33)35-8-9-38(24)26(37-23)14-2-3-16-4-5-22(40)39(16)13-14/h6-12,14,16H,2-5,13H2,1H3,(H2,33,35)(H,34,36,41)/t14-,16+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
APQGXQFALOVUQB-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