General Information of the Compound
| Compound ID |
CP0551292
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8969325, 273
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H21ClF3N3O3
|
||||||||||||||||||
| Molecular Weight |
467.875
|
||||||||||||||||||
| Canonical SMILES |
CN1C(=O)CCc2ccc(NC(=O)N[C@@H]3CC(CF)(CF)Oc4c(F)c(Cl)ccc34)cc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H21ClF3N3O3/c1-29-17-8-13(4-2-12(17)3-7-18(29)30)27-21(31)28-16-9-22(10-24,11-25)32-20-14(16)5-6-15(23)19(20)26/h2,4-6,8,16H,3,7,9-11H2,1H3,(H2,27,28,31)/t16-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
IPDHSZPISPZINF-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