General Information of the Compound
| Compound ID |
CP0555144
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-thioxo-1H-indole-3-alkanoic acid deriv. 8
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C12H13NO2S
|
||||||||||||||||||
| Molecular Weight |
235.308
|
||||||||||||||||||
| Canonical SMILES |
COC(=O)CC1C(=S)N(C)c2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C12H13NO2S/c1-13-10-6-4-3-5-8(10)9(12(13)16)7-11(14)15-2/h3-6,9H,7H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
ATODTYDJXOAVQA-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