General Information of the Compound
| Compound ID |
CP0442280
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8987473, 152
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H13Cl2N7
|
||||||||||||||||||
| Molecular Weight |
374.235
|
||||||||||||||||||
| Canonical SMILES |
Cc1nn(Cc2c(Cl)cccc2Cl)c2nc(Cc3nnn[nH]3)ccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H13Cl2N7/c1-9-11-6-5-10(7-15-20-23-24-21-15)19-16(11)25(22-9)8-12-13(17)3-2-4-14(12)18/h2-6H,7-8H2,1H3,(H,20,21,23,24)
Show/Hide
|
||||||||||||||||||
| InChIKey |
LJYNIMLLSWBJOM-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