| BioID | bio199636 |
|---|
| Name | None |
|---|
| ChEMBL ID | CHEMBL501808 |
|---|
| Molecular Formula | C34H25NO6 |
|---|
| Molecular Weight | 543.58 |
|---|
| Molecular Weight (Monoisotopic) | 543.1682 |
|---|
| Type | Small molecule |
|---|
| Max Phase | -- |
|---|
| Target ID | Tar81 |
|---|
| Target Name | None |
|---|
| Synonyms | 3'-(2-Naphthylamino) Diospyrin Dimethyl Ether |
|---|
| Smiles | COc1cc(C)cc2c1C(=O)C=C(c1c(C)cc3c(c1OC)C(=O)C(Nc1ccc4ccccc4c1)=CC3=O)C2=O |
|---|
| Inchi | InChI=1S/C34H25NO6/c1-17-11-23-30(28(12-17)40-3)27(37)15-24(32(23)38)29-18(2)13-22-26(36)16-25(33(39)31(22)34(29)41-4)35-21-10-9-19-7-5-6-8-20(19)14-21/h5-16,35H,1-4H3 |
|---|
| Inchi Key | PFBBDXSFRRARHR-UHFFFAOYSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 6.0 |
|---|
| Bioactivities | 14.0 |
|---|
| Np Likeness Score | 0.6 |
|---|
| Records Key | ['26', '3b'] |
|---|
| Records Name | [1',5-dimethoxy-3',7-dimethyl-7'-(naphthalen-2-ylamino)-2,2'-binaphthyl-1,4,5',8'-tetraone", "3'-(2-Naphthylamino) diospyrin dimethyl ether"]" |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
