General Information of the Compound
| Compound ID |
CP0132679
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9233111, 62
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H34FN7O3
|
||||||||||||||||||
| Molecular Weight |
535.624
|
||||||||||||||||||
| Canonical SMILES |
CN(C)C(=O)N1CCC(=CC1)c1cc2c(ncnc2[nH]1)-c1ccc(F)c(NC(=O)N2CC(C2)OC(C)(C)C)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H34FN7O3/c1-28(2,3)39-19-14-36(15-19)26(37)33-23-12-18(6-7-21(23)29)24-20-13-22(32-25(20)31-16-30-24)17-8-10-35(11-9-17)27(38)34(4)5/h6-8,12-13,16,19H,9-11,14-15H2,1-5H3,(H,33,37)(H,30,31,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
IJUNVOJIYZFJBT-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