2-(4-(benzyloxy)phenyl)-3-(8-((8R,9S,13S,14S,17S)-3,17-dihydroxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-17-yl)octa-1,7-diynyl)benzofuran-6-yl 4-methylbenzenesulfonate
2-(4-(benzyloxy)phenyl)-3-(8-((8R,9S,13S,14S,17S)-3,17-dihydroxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-17-yl)octa-1,7-diynyl)benzofuran-6-yl 4-methylbenzenesulfonate
| SMILES | Cc1ccc(S(=O)(=O)Oc2ccc3c(C#CCCCCC#CC4(O)CCC5C6CCc7cc(O)ccc7C6CCC54C)c(-c4ccc(OCc5ccccc5)cc4)oc3c2)cc1 |
| InChIKey | DZWWOWRCSCSEGW-UHFFFAOYSA-N |
Chemical Properties
| Hydrogen bond acceptors | 7 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 10 |
| Molecular weight (Da) | 844.3 |
Database connections
No bioactivity data available.
2-(4-(benzyloxy)phenyl)-3-(8-((8R,9S,13S,14S,17S)-3,17-dihydroxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-17-yl)octa-1,7-diynyl)benzofuran-6-yl 4-methylbenzenesulfonate
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