General Information of the Compound
| Compound ID |
CP0544426
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8754233, 2-(5-Amino-4-benzothiazol-2-yl-1H-pyrazol-3-ylamino)-ethanol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C12H13N5OS
|
||||||||||||||||||
| Molecular Weight |
275.337
|
||||||||||||||||||
| Canonical SMILES |
Nc1n[nH]c(NCCO)c1-c1nc2ccccc2s1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C12H13N5OS/c13-10-9(11(17-16-10)14-5-6-18)12-15-7-3-1-2-4-8(7)19-12/h1-4,18H,5-6H2,(H4,13,14,16,17)
Show/Hide
|
||||||||||||||||||
| InChIKey |
JXSYBOAIUJMCKC-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