General Information of the Compound
| Compound ID |
CP0421129
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
tert-butyl 2-[(4-methylphenyl)sulfonyl-[(5-nitrothiophen-2-yl)methyl]amino]acetate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H22N2O6S2
|
||||||||||||||||||
| Molecular Weight |
426.516
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc(cc1)S(=O)(=O)N(CC(=O)OC(C)(C)C)Cc1ccc(s1)[N+]([O-])=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H22N2O6S2/c1-13-5-8-15(9-6-13)28(24,25)19(12-17(21)26-18(2,3)4)11-14-7-10-16(27-14)20(22)23/h5-10H,11-12H2,1-4H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
YSBUUMMBHNXCHO-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