General Information of the Compound
| Compound ID |
CP0812816
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
SID849093
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C10H9BrN6
|
||||||||||||||||||
| Molecular Weight |
293.128
|
||||||||||||||||||
| Canonical SMILES |
Nc1nnnn1/N=C/C(Br)=C/c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C10H9BrN6/c11-9(6-8-4-2-1-3-5-8)7-13-17-10(12)14-15-16-17/h1-7H,(H2,12,14,16)/b9-6-,13-7+
Show/Hide
|
||||||||||||||||||
| InChIKey |
ASTHOWUTDWXZAK-XGLIJBRHSA-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
Protein ID: PT06109, Geminin
Protein ID: PT06172, Mothers against decapentaplegic homolog 3
Protein ID: PT06124, Paired box protein Pax-8