2-[4,6-Diamino-3-[3-Amino-6-[1-(Methylamino)Ethyl]Oxan-2-Yl]Oxy-2-Hydroxycyclohexyl]Oxy-5-Methyl-4-(Methylamino)Oxane-3,5-Diol
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL329592 | |
| PubChem: | 3467 | |
| IUPAC: | 2-[4,6-diamino-3-[3-amino-6-[1-(methylamino)ethyl]oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol | |
| Standard InChI: | InChI=1S/C21H43N5O7/c1-9(25-3)13-6-5-10(22)19(31-13)32-16-11(23)7-12(24)17(14(16)27)33-20-15(28)18(26-4)21(2,29)8-30-20/h9-20,25-29H,5-8,22-24H2,1-4H3 | |
| Standard InChI Key: | CEAZRRDELHUEMR-UHFFFAOYSA-N | |
| SMILES: | CNC(C1CCC(C(O1)OC1C(N)CC(C(C1O)OC1OCC(C(C1O)NC)(C)O)N)N)C | |
Molecular propeties
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| AlogP: | -3.33 | |
|---|---|---|
| Hydrogen bonds acceptors: | 12 | |
| Hydrogen bonds donors: | 8 | |
| Rotatable bonds: | 7 | |
| Number of rings: | 3 | |
| Molecular Weight: | 477.32 | |
| Topological polar surface area: | 200 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 1 | |
| Number of carbons: | 21 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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