General Information of the Compound
| Compound ID |
CP0464839
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9206164, 35
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H24Cl2N4O2
|
||||||||||||||||||
| Molecular Weight |
471.388
|
||||||||||||||||||
| Canonical SMILES |
CCc1nn(Cc2ccc(cc2)-c2nc3cc(Cl)c(Cl)cc3n2C)c(CC)c1CC(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H24Cl2N4O2/c1-4-19-16(10-23(31)32)21(5-2)30(28-19)13-14-6-8-15(9-7-14)24-27-20-11-17(25)18(26)12-22(20)29(24)3/h6-9,11-12H,4-5,10,13H2,1-3H3,(H,31,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
HVYBNQPLXNMHKK-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