(1S,11S,13S,17R,18R,20R,27S,29R,30R,31S,35E)-14,26-bis(cyclohex-2-en-1-yl)-35-(2-hydroxyethylidene)-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-bis(ylium) dibromide
(1S,11S,13S,17R,18R,20R,27S,29R,30R,31S,35E)-14,26-bis(cyclohex-2-en-1-yl)-35-(2-hydroxyethylidene)-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-bis(ylium) dibromide
| SMILES | OCC=C1C[N+]2(C3C=CCCC3)CCC3C4C(=CN5c6ccccc6C67CC[N+]8(C9C=CCCC9)CC9=CCOC(C(C9CC68)C57)N4c4ccccc4)C1CC32.[Br-].[Br-] |
| InChIKey | HIKALAMHAXPLDW-UHFFFAOYSA-L |
Chemical Properties
| Hydrogen bond acceptors | 4 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 4 |
| Molecular weight (Da) | 906.3 |
Database connections
No bioactivity data available.
(1S,11S,13S,17R,18R,20R,27S,29R,30R,31S,35E)-14,26-bis(cyclohex-2-en-1-yl)-35-(2-hydroxyethylidene)-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-bis(ylium) 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