General Information of the Compound
| Compound ID |
CP0541848
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9029360, 8
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H16BrN5O2S
|
||||||||||||||||||
| Molecular Weight |
422.308
|
||||||||||||||||||
| Canonical SMILES |
COCc1nc2CCN(CCc2s1)C(=O)c1cc2ncc(Br)cn2n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H16BrN5O2S/c1-24-9-15-19-11-2-4-21(5-3-13(11)25-15)16(23)12-6-14-18-7-10(17)8-22(14)20-12/h6-8H,2-5,9H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
BRYPHYOGDVFMNH-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