| BioID | bio1253 |
|---|
| Name | DISCORHABDIN C |
|---|
| ChEMBL ID | CHEMBL509849 |
|---|
| Molecular Formula | C18H13Br2N3O2 |
|---|
| Molecular Weight | 463.13 |
|---|
| Molecular Weight (Monoisotopic) | 460.9375 |
|---|
| Type | Small molecule |
|---|
| Max Phase | -- |
|---|
| Target ID | Tar11 |
|---|
| Target Name | Proto-oncogene c-RAF (c-RAF) |
|---|
| Synonyms | Discorhabdin C |
|---|
| Smiles | O=C1C(Br)=CC2(C=C1Br)CCNC1=C2C2=NCCc3c[nH]c(c32)C1=O |
|---|
| Inchi | InChI=1S/C18H13Br2N3O2/c19-9-5-18(6-10(20)16(9)24)2-4-22-15-12(18)13-11-8(1-3-21-13)7-23-14(11)17(15)25/h5-7,22-23H,1-4H2 |
|---|
| Inchi Key | IWHQWCUADMOONN-UHFFFAOYSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 20.0 |
|---|
| Bioactivities | 31.0 |
|---|
| Np Likeness Score | 2.37 |
|---|
| Records Key | ['1', '4', '2', '2', 'table 3, no 6', 'Discorhabdin C'] |
|---|
| Records Name | ['Discorhabdin C', 'Discorhabdin C', 'Discorhabdin C', 'discorhabdin C', 'discorhabdin C', 'Discorhabdin C'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
