General Information of the Compound
| Compound ID |
CP0752972
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
SID26671540
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C13H13BrN4O2S
|
||||||||||||||||||
| Molecular Weight |
369.244
|
||||||||||||||||||
| Canonical SMILES |
Oc1[nH]c2ccc(Br)cc2c1N=NC(=S)N1CCOCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C13H13BrN4O2S/c14-8-1-2-10-9(7-8)11(12(19)15-10)16-17-13(21)18-3-5-20-6-4-18/h1-2,7,15,19H,3-6H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
UVTGFBZARMYBIL-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
Protein ID: PT06109, Geminin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06124, Paired box protein Pax-8