Bioactive Compound Details
| BioID | bio197398 |
|---|---|
| Name | CEPHALOSTATIN 2 |
| ChEMBL ID | CHEMBL258442 |
| Molecular Formula | C54H74N2O11 |
| Molecular Weight | 927.19 |
| Molecular Weight (Monoisotopic) | 926.5293 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | Cephalostatin 2 |
| Smiles | C[C@@H]1[C@]2(O[C@H]3C=C4[C@@H]5CC[C@H]6Cc7nc8c(nc7C[C@]6(C)[C@H]5C[C@@H](O)[C@]4(C)[C@]31O)C[C@@H]1CC[C@H]3C4=CC[C@@H]5[C@H](C)[C@@]6(OC[C@]45C(=O)C[C@]3(O)[C@@]1(C)C8)OC(C)(C)C[C@H]6O)O[C@](C)(CO)C[C@H]2O |
| Inchi | InChI=1S/C54H74N2O11/c1-26-31-13-14-32-33-12-10-29-16-37-39(20-48(29,7)51(33,62)23-41(59)50(31,32)25-64-53(26)42(60)21-45(3,4)66-53)56-36-15-28-9-11-30-34(47(28,6)19-38(36)55-37)17-40(58)49(8)35(30)18-44-52(49,63)27(2)54(65-44)43(61)22-46(5,24-57)67-54/h14,18,26-31,33-34,40,42-44,57-58,60-63H,9-13,15-17,19-25H2,1-8H3/t26-,27-,28-,29-,30+,31+,33-,34-,40+,42+,43+,44-,46-,47-,48-,49+,50+,51+,52+,53+,54-/m0/s1 |
| Inchi Key | BVGDPXVMSLWVOD-POFLQVPRSA-N |
| Molecular Species | NEUTRAL |
| Targets | 56.0 |
| Bioactivities | 67.0 |
| Np Likeness Score | 1.81 |
| Records Key | ['cephalostatin 2', '2', '2'] |
| Records Name | ['cephalostatin 2', 'cephalostatin 2', 'cephalostatin 2'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
