General Information of the Compound
| Compound ID |
CP0909083
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
SID57260737
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C14H9Br2ClN4O2S
|
||||||||||||||||||
| Molecular Weight |
492.58
|
||||||||||||||||||
| Canonical SMILES |
O=S(=O)(Nc1cc(Cl)ccc1-n1cncn1)c1cc(Br)ccc1Br
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C14H9Br2ClN4O2S/c15-9-1-3-11(16)14(5-9)24(22,23)20-12-6-10(17)2-4-13(12)21-8-18-7-19-21/h1-8,20H
Show/Hide
|
||||||||||||||||||
| InChIKey |
DMFRUFZGJWUTPH-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: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06172, Mothers against decapentaplegic homolog 3