General Information of the Compound
| Compound ID |
CP0805262
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(N-(4-(4-(tert-Butoxycarbonyl)phenylamino)-4-oxobutyl)sulfamoyl)benzamidinium trifluoroacetate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H29F3N4O7S
|
||||||||||||||||||
| Molecular Weight |
574.578
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(C)OC(=O)c1ccc(NC(=O)CCCNS(=O)(=O)c2cccc(C(=N)N)c2)cc1.O=C(O)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H28N4O5S.C2HF3O2/c1-22(2,3)31-21(28)15-9-11-17(12-10-15)26-19(27)8-5-13-25-32(29,30)18-7-4-6-16(14-18)20(23)24;3-2(4,5)1(6)7/h4,6-7,9-12,14,25H,5,8,13H2,1-3H3,(H3,23,24)(H,26,27);(H,6,7)
Show/Hide
|
||||||||||||||||||
| InChIKey |
MXHWWXAWSIESHG-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