General Information of the Compound
| Compound ID |
CP0506869
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8791272, 2.42
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H31N3O3
|
||||||||||||||||||
| Molecular Weight |
469.585
|
||||||||||||||||||
| Canonical SMILES |
CCCc1nn(Cc2ccc(NC(=O)c3ccc4ccccc4c3)cc2)c(C(C)C)c1CC(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H31N3O3/c1-4-7-26-25(17-27(33)34)28(19(2)3)32(31-26)18-20-10-14-24(15-11-20)30-29(35)23-13-12-21-8-5-6-9-22(21)16-23/h5-6,8-16,19H,4,7,17-18H2,1-3H3,(H,30,35)(H,33,34)
Show/Hide
|
||||||||||||||||||
| InChIKey |
USBAONCQAXYXKB-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