General Information of the Compound
| Compound ID |
CP0036761
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[(2-{[(1-methylpiperidin-4-yl)methyl]amino}benzene)sulfonamido]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H31N3O4S
|
||||||||||||||||||
| Molecular Weight |
457.596
|
||||||||||||||||||
| Canonical SMILES |
CN1CCC(CNc2ccccc2S(=O)(=O)Nc2ccc3CCCCc3c2C(O)=O)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H31N3O4S/c1-27-14-12-17(13-15-27)16-25-20-8-4-5-9-22(20)32(30,31)26-21-11-10-18-6-2-3-7-19(18)23(21)24(28)29/h4-5,8-11,17,25-26H,2-3,6-7,12-16H2,1H3,(H,28,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
VLHRPPHNEVNCLA-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: PT00973, Methionine aminopeptidase 2
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000156 | HT-1080 | Homo sapiens (Human) | 1 |
| 1 |
EC50 = 130 nM
|
TI
LI
LO
TS
|
|
|---|---|---|---|