Ligand Information
| Ligand General Information | Top | |||
|---|---|---|---|---|
| Ligand ID |
LK9FI6
|
|||
| Ligand Name |
1-[(1R,2R,4S,5S)-2,4-bis(4-carbamimidamidophenoxy)-5-[(4-carbamimidamidophenyl)amino]cyclohexyl]guanidine
|
|||
| Synonyms |
CHEMBL506022; 1-[(1~{r},2~{r},4~{s},5~{s})-2,4-Bis(4-Carbamimidamidophenoxy)-5-[(4-Carbamimidamidophenyl)amino]cyclohexyl]guanidine; BDBM50279606; 1-[(1R,2R,4S,5S)-2,4-bis(4-carbamimidamidophenoxy)-5-[(4-carbamimidamidophenyl)amino]cyclohexyl]guanidine; 1N
Click to Show/Hide
|
|||
| Structure |
 |
Download2D MOL |
||
| Formula |
C28H37N13O2
|
|||
| Canonical SMILES |
C1C(C(CC(C1N=C(N)N)OC2=CC=C(C=C2)N=C(N)N)OC3=CC=C(C=C3)N=C(N)N)NC4=CC=C(C=C4)N=C(N)N
|
|||
| InChI |
1S/C28H37N13O2/c29-25(30)38-16-3-1-15(2-4-16)37-21-13-22(41-28(35)36)24(43-20-11-7-18(8-12-20)40-27(33)34)14-23(21)42-19-9-5-17(6-10-19)39-26(31)32/h1-12,21-24,37H,13-14H2,(H4,29,30,38)(H4,31,32,39)(H4,33,34,40)(H4,35,36,41)/t21-,22+,23-,24+/m0/s1
|
|||
| InChIKey |
PKMXMBXOZUEHDV-UARRHKHWSA-N
|
|||
| PubChem Compound ID | ||||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.