General Information of the Compound
| Compound ID |
CP0549975
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9029360, 3
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C15H13BrN4OS
|
||||||||||||||||||
| Molecular Weight |
377.267
|
||||||||||||||||||
| Canonical SMILES |
Brc1cnc2cc(nn2c1)C(=O)N1CCc2ccsc2CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C15H13BrN4OS/c16-11-8-17-14-7-12(18-20(14)9-11)15(21)19-4-1-10-3-6-22-13(10)2-5-19/h3,6-9H,1-2,4-5H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
OHYAXRDMSLZLIC-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