General Information of the Compound
| Compound ID |
CP0520542
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9199981, F63
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H31F2N7O2
|
||||||||||||||||||
| Molecular Weight |
535.599
|
||||||||||||||||||
| Canonical SMILES |
CN1CCN(CCc2ccc3ncc(C(=O)Nc4cc(ccc4C)-c4noc(n4)C4CC(F)(F)C4)n3c2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H31F2N7O2/c1-18-3-5-20(25-33-27(39-34-25)21-14-28(29,30)15-21)13-22(18)32-26(38)23-16-31-24-6-4-19(17-37(23)24)7-8-36-11-9-35(2)10-12-36/h3-6,13,16-17,21H,7-12,14-15H2,1-2H3,(H,32,38)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ILMLCTYDPFLFJW-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