General Information of the Compound
| Compound ID |
CP0419956
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9216968, 101
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H18Cl2F2N4O3
|
||||||||||||||||||
| Molecular Weight |
519.335
|
||||||||||||||||||
| Canonical SMILES |
COCc1nc2c(cc(NC(=O)c3c(F)ccc(F)c3Cl)cc2[nH]1)C(=O)Nc1cccc(Cl)c1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H18Cl2F2N4O3/c1-11-14(25)4-3-5-17(11)31-23(33)13-8-12(9-18-22(13)32-19(30-18)10-35-2)29-24(34)20-15(27)6-7-16(28)21(20)26/h3-9H,10H2,1-2H3,(H,29,34)(H,30,32)(H,31,33)
Show/Hide
|
||||||||||||||||||
| InChIKey |
CUYSSAYGODSQCA-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