General Information of the Compound
| Compound ID |
CP0302325
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-{[2-({2-[1-(propan-2-yl)pyrrolidin-2-yl]ethyl}amino)benzene]sulfonamido}-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H35N3O4S
|
||||||||||||||||||
| Molecular Weight |
485.65
|
||||||||||||||||||
| Canonical SMILES |
CC(C)N1CCCC1CCNc1ccccc1S(=O)(=O)Nc1ccc2CCCCc2c1C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H35N3O4S/c1-18(2)29-17-7-9-20(29)15-16-27-22-11-5-6-12-24(22)34(32,33)28-23-14-13-19-8-3-4-10-21(19)25(23)26(30)31/h5-6,11-14,18,20,27-28H,3-4,7-10,15-17H2,1-2H3,(H,30,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
CPCOASVFHXAUFI-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