General Information of the Compound
| Compound ID |
CP0122060
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8680275, 58
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H19BrN4O
|
||||||||||||||||||
| Molecular Weight |
387.281
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc(C)nc(n1)N1CC2CN(CC12)C(=O)c1ccccc1Br
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H19BrN4O/c1-11-7-12(2)21-18(20-11)23-9-13-8-22(10-16(13)23)17(24)14-5-3-4-6-15(14)19/h3-7,13,16H,8-10H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
CTTAQNIKFVJOHR-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