(1S,11S,13S,18R,20R,27S,29R,30R,31S,35E)-35-(2-hydroxyethylidene)-14,26-bis[(4-nitrophenyl)methyl]-19-phenyl-21-oxa-8,14,19,26-tetraazadecacyclo[24.5.2.2^{11,14}.0^{1,27}.0^{2,7}.0^{8,31}.0^{10,18}.0^{13,17}.0^{20,30}.0^{24,29}]pentatriaconta-2,4,6,9,23-pentaene-14,26-diium dibromide
(1S,11S,13S,18R,20R,27S,29R,30R,31S,35E)-35-(2-hydroxyethylidene)-14,26-bis[(4-nitrophenyl)methyl]-19-phenyl-21-oxa-8,14,19,26-tetraazadecacyclo[24.5.2.2^{11,14}.0^{1,27}.0^{2,7}.0^{8,31}.0^{10,18}.0^{13,17}.0^{20,30}.0^{24,29}]pentatriaconta-2,4,6,9,23-pentaene-14,26-diium dibromide
| SMILES | O=[N+]([O-])c1ccc(C[N+]23CCC4C5C(=CN6c7ccccc7C78CC[N+]9(Cc%10ccc([N+](=O)[O-])cc%10)CC%10=CCOC(C(C%10CC79)C68)N5c5ccccc5)C(CC42)C(=CCO)C3)cc1.[Br-].[Br-] |
| InChIKey | JKQCYYLFNPUCJQ-UHFFFAOYSA-L |
Chemical Properties
| Hydrogen bond acceptors | 8 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 8 |
| Molecular weight (Da) | 1016.2 |
Database connections
No bioactivity data available.
(1S,11S,13S,18R,20R,27S,29R,30R,31S,35E)-35-(2-hydroxyethylidene)-14,26-bis[(4-nitrophenyl)methyl]-19-phenyl-21-oxa-8,14,19,26-tetraazadecacyclo[24.5.2.2^{11,14}.0^{1,27}.0^{2,7}.0^{8,31}.0^{10,18}.0^{13,17}.0^{20,30}.0^{24,29}]pentatriaconta-2,4,6,9,23-pentaene-14,26-diium dibromide
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Surrogate |
| Approved drug | No |
Distribution across phases (no. indications)
Phase I
0
Phase II
0
Phase III
0
Phase IV
0