General Information of the Compound
| Compound ID |
CP0553944
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
Compound 1-57
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H30F3N5O4
|
||||||||||||||||||
| Molecular Weight |
533.551
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(C)OC(=O)N1CCN(CC1)C(=O)Cn1ccc2c(Oc3cc(CN)cc(n3)C(F)(F)F)cccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H30F3N5O4/c1-25(2,3)38-24(36)33-11-9-32(10-12-33)23(35)16-34-8-7-18-19(34)5-4-6-20(18)37-22-14-17(15-30)13-21(31-22)26(27,28)29/h4-8,13-14H,9-12,15-16,30H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
HONNWTDYWUAZJF-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