General Information of the Compound
| Compound ID |
CP0503772
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8637507, C-91
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H25F4N3O5
|
||||||||||||||||||
| Molecular Weight |
559.516
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)C1CCC(CC1)Oc1ccc(cn1)-c1ccc2N(CCOc2c1)C(=O)Nc1ccc(F)cc1C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H25F4N3O5/c29-19-5-8-22(21(14-19)28(30,31)32)34-27(38)35-11-12-39-24-13-17(3-9-23(24)35)18-4-10-25(33-15-18)40-20-6-1-16(2-7-20)26(36)37/h3-5,8-10,13-16,20H,1-2,6-7,11-12H2,(H,34,38)(H,36,37)
Show/Hide
|
||||||||||||||||||
| InChIKey |
MIRFEAFVHOWPLX-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