General Information of the Compound
| Compound ID |
CP0419155
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9278960, 2-3
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H17FN4O3
|
||||||||||||||||||
| Molecular Weight |
392.39
|
||||||||||||||||||
| Canonical SMILES |
CN1CC(=O)N(Cc2ccc3c(cc(nc3c2)C(N)=O)-c2ccc(F)cc2)C1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H17FN4O3/c1-25-11-19(27)26(21(25)29)10-12-2-7-15-16(13-3-5-14(22)6-4-13)9-18(20(23)28)24-17(15)8-12/h2-9H,10-11H2,1H3,(H2,23,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
BJODMBLXUSZGOO-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