Bioactive Compound Details
| BioID | bio198295 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL1911310 |
| Molecular Formula | C45H63N5O12 |
| Molecular Weight | 866.02 |
| Molecular Weight (Monoisotopic) | 865.4473 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | 8-(2-Hydroxyethylamino)Rifampin |
| Smiles | CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(NCCO)c4c(O)c(c(/C=N/N5CCN(C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C |
| Inchi | InChI=1S/C45H63N5O12/c1-23-12-11-13-24(2)44(58)48-36-30(22-47-50-18-16-49(9)17-19-50)39(55)32-33(40(36)56)35(46-15-20-51)26(4)42-34(32)43(57)45(8,62-42)60-21-14-31(59-10)25(3)41(61-29(7)52)28(6)38(54)27(5)37(23)53/h11-14,21-23,25,27-28,31,37-38,41,46,51,53-56H,15-20H2,1-10H3,(H,48,58)/b12-11+,21-14+,24-13-,47-22+/t23-,25+,27+,28+,31-,37-,38+,41+,45-/m0/s1 |
| Inchi Key | KFBIEIPLUQYMOJ-MSBACVMHSA-N |
| Molecular Species | NEUTRAL |
| Targets | 1.0 |
| Bioactivities | 2.0 |
| Np Likeness Score | 1.39 |
| Records Key | ['10d'] |
| Records Name | ['8-(2-Hydroxyethylamino)rifampin'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
