| BioID | bio1727 |
|---|
| Name | METACHROMIN C |
|---|
| ChEMBL ID | CHEMBL484235 |
|---|
| Molecular Formula | C22H30O4 |
|---|
| Molecular Weight | 358.48 |
|---|
| Molecular Weight (Monoisotopic) | 358.2144 |
|---|
| Type | Small molecule |
|---|
| Max Phase | -- |
|---|
| Target ID | Tar11 |
|---|
| Target Name | Proto-oncogene c-RAF (c-RAF) |
|---|
| Synonyms | Metachromin C |
|---|
| Smiles | COC1=CC(=O)C(O)=C(C/C=C(\C)CC[C@@]2(C)CCC=C(C)[C@H]2C)C1=O |
|---|
| Inchi | InChI=1S/C22H30O4/c1-14(10-12-22(4)11-6-7-15(2)16(22)3)8-9-17-20(24)18(23)13-19(26-5)21(17)25/h7-8,13,16,24H,6,9-12H2,1-5H3/b14-8+/t16-,22-/m1/s1 |
|---|
| Inchi Key | RDBDWSGJCBFVNX-ABZGJHIISA-N |
|---|
| Molecular Species | ACID |
|---|
| Targets | 7.0 |
|---|
| Bioactivities | 9.0 |
|---|
| Np Likeness Score | 3.08 |
|---|
| Records Key | ['20', '1', '3'] |
|---|
| Records Name | ['Metachromin C', 'metachromin C', 'Metachromin C'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
