General Information of the Compound
| Compound ID |
CP0470547
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(2,5-dimethylphenyl)sulfonyl-3-[(4-methylpiperazin-1-yl)methyl]indole
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H27N3O2S
|
||||||||||||||||||
| Molecular Weight |
397.544
|
||||||||||||||||||
| Canonical SMILES |
CN1CCN(Cc2cn(c3ccccc23)S(=O)(=O)c2cc(C)ccc2C)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H27N3O2S/c1-17-8-9-18(2)22(14-17)28(26,27)25-16-19(20-6-4-5-7-21(20)25)15-24-12-10-23(3)11-13-24/h4-9,14,16H,10-13,15H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
MNOIOAYKPXKZQQ-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