Bioactive Compound Details
| BioID | bio199946 |
|---|---|
| Name | 3ALPHA,7ALPHA-BIS[2-(5-IMIDAZOLYL)ETHYL]AMINO-5ALPHA-CHOLESTANE |
| ChEMBL ID | CHEMBL2408685 |
| Molecular Formula | C37H62N6 |
| Molecular Weight | 590.95 |
| Molecular Weight (Monoisotopic) | 590.5036 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | None |
| Smiles | CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](NCCc4cnc[nH]4)C[C@H]4C[C@H](NCCc5cnc[nH]5)CC[C@]4(C)[C@H]3CC[C@]12C |
| Inchi | InChI=1S/C37H62N6/c1-25(2)7-6-8-26(3)31-9-10-32-35-33(12-16-37(31,32)5)36(4)15-11-28(40-17-13-29-21-38-23-42-29)19-27(36)20-34(35)41-18-14-30-22-39-24-43-30/h21-28,31-35,40-41H,6-20H2,1-5H3,(H,38,42)(H,39,43)/t26-,27-,28-,31-,32+,33+,34-,35+,36+,37-/m1/s1 |
| Inchi Key | BYGYRHAHTORABC-ZSJJSTOPSA-N |
| Molecular Species | BASE |
| Targets | 13.0 |
| Bioactivities | 17.0 |
| Np Likeness Score | 1.02 |
| Records Key | ['9'] |
| Records Name | ['3alpha,7alpha-Bis[2-(5-imidazolyl)ethyl]amino-5alpha-cholestane'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
