VHA
22-methyl-13,18-dioxa-7-thia-3,5-diazatetracyclo[17.3.1.1~2,6~.1~8,12~]pentacosa-1(23),2(25),3,5,8(24),9,11,19,21-nonaen-4-amine
Find entries where: VHA
is present as a standalone ligand in 1 entries
Chemical Component Summary | |
|---|---|
| Name | 22-methyl-13,18-dioxa-7-thia-3,5-diazatetracyclo[17.3.1.1~2,6~.1~8,12~]pentacosa-1(23),2(25),3,5,8(24),9,11,19,21-nonaen-4-amine |
| Identifiers | n/a |
| Formula | C21 H21 N3 O2 S |
| Molecular Weight | 379.475 |
| Type | NON-POLYMER |
| Isomeric SMILES | Cc1ccc2cc1-c3cc(nc(n3)N)Sc4cccc(c4)OCCCCO2 |
| InChI | InChI=1S/C21H21N3O2S/c1-14-7-8-16-12-18(14)19-13-20(24-21(22)23-19)27-17-6-4-5-15(11-17)25-9-2-3-10-26-16/h4-8,11-13H,2-3,9-10H2,1H3,(H2,22,23,24) |
| InChIKey | ZRQBUFWZLIUDMG-UHFFFAOYSA-N |
Chemical Details | |
|---|---|
| Formal Charge | 0 |
| Atom Count | 48 |
| Chiral Atom Count | 0 |
| Bond Count | 51 |
| Aromatic Bond Count | 18 |
Related Resource References
| Resource Name | Reference |
|---|---|
| Pharos | CHEMBL1939371 |
| PubChem | 57383471 |
| ChEMBL | CHEMBL1939371 |
