General Information of the Compound
| Compound ID |
CP0650169
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
SID24793346
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H20ClN3OS
|
||||||||||||||||||
| Molecular Weight |
349.887
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc(Cl)cc1N1CCN(C(S)=NCc2ccco2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H20ClN3OS/c1-13-4-5-14(18)11-16(13)20-6-8-21(9-7-20)17(23)19-12-15-3-2-10-22-15/h2-5,10-11H,6-9,12H2,1H3,(H,19,23)
Show/Hide
|
||||||||||||||||||
| InChIKey |
GQFUPFFSXYFHBP-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