General Information of the Compound
| Compound ID |
CP0463986
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8791272, 2.59
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H23N3O3
|
||||||||||||||||||
| Molecular Weight |
413.477
|
||||||||||||||||||
| Canonical SMILES |
CCc1c(CC(O)=O)cnn1Cc1ccc(NC(=O)c2ccc3ccccc3c2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H23N3O3/c1-2-23-21(14-24(29)30)15-26-28(23)16-17-7-11-22(12-8-17)27-25(31)20-10-9-18-5-3-4-6-19(18)13-20/h3-13,15H,2,14,16H2,1H3,(H,27,31)(H,29,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
TUTGMSGRBCPLSQ-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