General Information of the Compound
| Compound ID |
CP0513705
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(4-carbamimidoyl-2-fluorophenyl)-2-[(4-methylphenyl)sulfonylamino]hexanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H25FN4O3S
|
||||||||||||||||||
| Molecular Weight |
420.51
|
||||||||||||||||||
| Canonical SMILES |
CCCCC(NS(=O)(=O)c1ccc(C)cc1)C(=O)Nc1ccc(cc1F)C(N)=N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H25FN4O3S/c1-3-4-5-18(25-29(27,28)15-9-6-13(2)7-10-15)20(26)24-17-11-8-14(19(22)23)12-16(17)21/h6-12,18,25H,3-5H2,1-2H3,(H3,22,23)(H,24,26)
Show/Hide
|
||||||||||||||||||
| InChIKey |
WCETYNWDASLNAX-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: PT03005, Serine protease hepsin
Protein ID: PT01043, Urokinase-type plasminogen activator