General Information of the Compound
| Compound ID |
CP0578108
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9062048, 143
Show/Hide
|
||||||||||||||||||
| Formula |
C26H36F3N7O2
|
||||||||||||||||||
| Molecular Weight |
535.615
|
||||||||||||||||||
| Canonical SMILES |
CCC(NC(=O)N(C)C)[C@H]1CC[C@H](CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H36F3N7O2/c1-4-21(34-25(38)35(2)3)16-5-8-19(9-6-16)36-13-18(14-36)33-23(37)12-30-24-20-11-17(26(27,28)29)7-10-22(20)31-15-32-24/h7,10-11,15-16,18-19,21H,4-6,8-9,12-14H2,1-3H3,(H,33,37)(H,34,38)(H,30,31,32)/t16-,19+,21?
Show/Hide
|
||||||||||||||||||
| InChIKey |
AKBJXQNRSUTPPR-DSENVFOLSA-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