Bioactive Compound Details
| BioID | bio1722 |
|---|---|
| Name | DIMETHYLCYANOCYCLINE C |
| ChEMBL ID | CHEMBL462768 |
| Molecular Formula | C24H32N4O5 |
| Molecular Weight | 456.54 |
| Molecular Weight (Monoisotopic) | 456.2373 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Dimethylcyanocycline C |
| Smiles | COc1c(C)c(OC)c2c(c1OC)[C@@H](CO)N1[C@H]3[C@@H]4[C@@H](C[C@H]([C@H]1C#N)N4C)[C@@H]1OCCN1[C@@H]23 |
| Inchi | InChI=1S/C24H32N4O5/c1-11-21(30-3)17-16(23(32-5)22(11)31-4)15(10-29)28-14(9-25)13-8-12-18(26(13)2)20(28)19(17)27-6-7-33-24(12)27/h12-15,18-20,24,29H,6-8,10H2,1-5H3/t12-,13-,14-,15-,18+,19+,20+,24+/m1/s1 |
| Inchi Key | DVUMQAXDXBNOKC-FNHRHXOSSA-N |
| Molecular Species | NEUTRAL |
| Targets | 7.0 |
| Bioactivities | 7.0 |
| Np Likeness Score | 1.98 |
| Records Key | ['7'] |
| Records Name | ['dimethylcyanocycline C'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
