General Information of the Compound
| Compound ID |
CP0549821
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2R)-2-(benzenesulfonamido)-N-(4-carbamimidoylphenyl)-2-cyclohexylacetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H26N4O3S
|
||||||||||||||||||
| Molecular Weight |
414.531
|
||||||||||||||||||
| Canonical SMILES |
NC(=N)c1ccc(NC(=O)[C@H](NS(=O)(=O)c2ccccc2)C2CCCCC2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H26N4O3S/c22-20(23)16-11-13-17(14-12-16)24-21(26)19(15-7-3-1-4-8-15)25-29(27,28)18-9-5-2-6-10-18/h2,5-6,9-15,19,25H,1,3-4,7-8H2,(H3,22,23)(H,24,26)/t19-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
NQBRJBOXVWMMJV-LJQANCHMSA-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