General Information of the Compound
| Compound ID |
CP0471524
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-2-{[3-(2-nitro-benzenesulfonylamino)-thiophene-2-carbonyl]-amino}-5-guanidinopentanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H20N6O7S2
|
||||||||||||||||||
| Molecular Weight |
484.516
|
||||||||||||||||||
| Canonical SMILES |
NC(N)=NCCC[C@H](NC(=O)c1sccc1NS(=O)(=O)c1ccccc1[N+]([O-])=O)C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H20N6O7S2/c18-17(19)20-8-3-4-11(16(25)26)21-15(24)14-10(7-9-31-14)22-32(29,30)13-6-2-1-5-12(13)23(27)28/h1-2,5-7,9,11,22H,3-4,8H2,(H,21,24)(H,25,26)(H4,18,19,20)/t11-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
CTKGKGLPEMCBGI-NSHDSACASA-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