General Information of the Compound
| Compound ID |
CP0494950
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9340500, I-075
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C33H39F3N4O4
|
||||||||||||||||||
| Molecular Weight |
612.693
|
||||||||||||||||||
| Canonical SMILES |
Cc1c(cc(C2CCN(CC2)C(=O)OCc2ccccc2)n1CCCN1CCOCC1)C(=O)Nc1cccc(c1)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C33H39F3N4O4/c1-24-29(31(41)37-28-10-5-9-27(21-28)33(34,35)36)22-30(40(24)14-6-13-38-17-19-43-20-18-38)26-11-15-39(16-12-26)32(42)44-23-25-7-3-2-4-8-25/h2-5,7-10,21-22,26H,6,11-20,23H2,1H3,(H,37,41)
Show/Hide
|
||||||||||||||||||
| InChIKey |
DGBAWOXGLXNPSZ-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