General Information of the Compound
| Compound ID |
CP0443286
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[2-[(dimethylamino)methyl]-4-iodophenyl]sulfanylaniline
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C15H17IN2S
|
||||||||||||||||||
| Molecular Weight |
384.286
|
||||||||||||||||||
| Canonical SMILES |
CN(C)Cc1cc(I)ccc1Sc1ccccc1N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C15H17IN2S/c1-18(2)10-11-9-12(16)7-8-14(11)19-15-6-4-3-5-13(15)17/h3-9H,10,17H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
GTPAPSXOSQWTAV-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