General Information of the Compound
| Compound ID |
CP0478851
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9216968, 166
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H23ClF3N5O3
|
||||||||||||||||||
| Molecular Weight |
557.96
|
||||||||||||||||||
| Canonical SMILES |
COC1CN(C1)c1nc2c(cc(NC(=O)c3ccccc3C(F)(F)F)cc2[nH]1)C(=O)Nc1cccc(Cl)c1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H23ClF3N5O3/c1-14-20(28)8-5-9-21(14)33-25(38)18-10-15(32-24(37)17-6-3-4-7-19(17)27(29,30)31)11-22-23(18)35-26(34-22)36-12-16(13-36)39-2/h3-11,16H,12-13H2,1-2H3,(H,32,37)(H,33,38)(H,34,35)
Show/Hide
|
||||||||||||||||||
| InChIKey |
FULCSMXOIVOAAI-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