N,N''''-Hexane-1,6-diylbis[N'-(4-chlorophenyl)triimidodicarbonic diamide]
| Internal ID | 50a5df30-9e3a-413d-a1bb-695acb82624d |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Halobenzenes > Chlorobenzenes |
| IUPAC Name | 2-[6-[[amino-[(E)-[amino-(4-chloroanilino)methylidene]amino]methylidene]amino]hexyl]-1-[amino-(4-chloroanilino)methylidene]guanidine |
| SMILES (Canonical) | C1=CC(=CC=C1NC(=NC(=NCCCCCCN=C(N)N=C(N)NC2=CC=C(C=C2)Cl)N)N)Cl |
| SMILES (Isomeric) | C1=CC(=CC=C1NC(=NC(=NCCCCCCN=C(N)/N=C(\N)/NC2=CC=C(C=C2)Cl)N)N)Cl |
| InChI | InChI=1S/C22H30Cl2N10/c23-15-5-9-17(10-6-15)31-21(27)33-19(25)29-13-3-1-2-4-14-30-20(26)34-22(28)32-18-11-7-16(24)8-12-18/h5-12H,1-4,13-14H2,(H5,25,27,29,31,33)(H5,26,28,30,32,34) |
| InChI Key | GHXZTYHSJHQHIJ-UHFFFAOYSA-N |
| Popularity | 5 references in papers |
| Molecular Formula | C22H30Cl2N10 |
| Molecular Weight | 505.40 g/mol |
| Exact Mass | 504.2031964 g/mol |
| Topological Polar Surface Area (TPSA) | 178.00 Ų |
| XlogP | 0.10 |
| N,N''''-Hexane-1,6-diylbis[N'-(4-chlorophenyl)triimidodicarbonic diamide] |
![2D Structure of N,N''''-Hexane-1,6-diylbis[N'-(4-chlorophenyl)triimidodicarbonic diamide]](https://plantaedb.com/storage/docs/compounds/2023/07/ebc3bde0-24a8-11ee-8292-1f12df3e3cda.jpg "2D Structure of N,N''''-Hexane-1,6-diylbis[N'-(4-chlorophenyl)triimidodicarbonic diamide]")
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.93% | 91.11% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 96.13% | 94.73% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 89.43% | 86.92% |
| CHEMBL4530 | P00488 | Coagulation factor XIII | 89.20% | 96.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.68% | 94.45% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 87.35% | 90.24% |
| CHEMBL3085 | P43003 | Excitatory amino acid transporter 1 | 87.08% | 94.67% |
| CHEMBL279 | P35968 | Vascular endothelial growth factor receptor 2 | 87.04% | 95.52% |
| CHEMBL2721 | P43005 | Excitatory amino acid transporter 3 | 86.68% | 93.50% |
| CHEMBL4973 | P43004 | Excitatory amino acid transporter 2 | 85.65% | 98.75% |
| CHEMBL3902 | P09211 | Glutathione S-transferase Pi | 84.84% | 93.81% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 84.23% | 96.00% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 83.96% | 92.29% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.59% | 86.33% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.85% | 90.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.64% | 95.89% |
| CHEMBL1287628 | Q9Y5S8 | NADPH oxidase 1 | 80.41% | 95.48% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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