General Information of the Compound
| Compound ID |
CP0517880
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9212153, 464,Ex. 398
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H23N5O2
|
||||||||||||||||||
| Molecular Weight |
413.481
|
||||||||||||||||||
| Canonical SMILES |
CN1C(N)=NC2(C1=O)c1cc(ccc1CC21CCc2noc(C)c2C1)-c1cccnc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H23N5O2/c1-14-18-12-23(8-7-20(18)28-31-14)11-16-6-5-15(17-4-3-9-26-13-17)10-19(16)24(23)21(30)29(2)22(25)27-24/h3-6,9-10,13H,7-8,11-12H2,1-2H3,(H2,25,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
MLXKOVMODIDRIB-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