General Information of the Compound
| Compound ID |
CP0464834
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9206164, 15
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H24N4O2
|
||||||||||||||||||
| Molecular Weight |
388.471
|
||||||||||||||||||
| Canonical SMILES |
CCc1nn(Cc2ccc(cc2)-c2nc3ccccc3[nH]2)c(CC)c1CC(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H24N4O2/c1-3-18-17(13-22(28)29)21(4-2)27(26-18)14-15-9-11-16(12-10-15)23-24-19-7-5-6-8-20(19)25-23/h5-12H,3-4,13-14H2,1-2H3,(H,24,25)(H,28,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
XOEKLUDKOXVKLC-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