General Information of the Compound
| Compound ID |
CP0450241
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8933079, 5.7
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H25N3O4
|
||||||||||||||||||
| Molecular Weight |
419.481
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc(CN2CC(O)C2)ccc1C(=O)Cn1ncc(OCc2ccccc2)cc1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H25N3O4/c1-17-9-19(12-26-13-20(28)14-26)7-8-22(17)23(29)15-27-24(30)10-21(11-25-27)31-16-18-5-3-2-4-6-18/h2-11,20,28H,12-16H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
JDQKMIIJXBMANT-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