General Information of the Compound
| Compound ID |
CP0521276
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8969325, 192
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H20ClF3N4O3
|
||||||||||||||||||
| Molecular Weight |
468.863
|
||||||||||||||||||
| Canonical SMILES |
CN1Cc2ccc(NC(=O)N[C@@H]3CC(CF)(CF)Oc4c(F)c(Cl)ccc34)cc2NC1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H20ClF3N4O3/c1-29-8-11-2-3-12(6-15(11)28-20(29)31)26-19(30)27-16-7-21(9-23,10-24)32-18-13(16)4-5-14(22)17(18)25/h2-6,16H,7-10H2,1H3,(H,28,31)(H2,26,27,30)/t16-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
FLKXJSSRRLOTIO-MRXNPFEDSA-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