| BioID | bio197740 |
|---|
| Name | TP-030-2 |
|---|
| ChEMBL ID | CHEMBL4549667 |
|---|
| Molecular Formula | C23H21BrN4O3 |
|---|
| Molecular Weight | 481.35 |
|---|
| Molecular Weight (Monoisotopic) | 480.0797 |
|---|
| Type | Unknown |
|---|
| Max Phase | -- |
|---|
| Target ID | Tar81 |
|---|
| Target Name | None |
|---|
| Synonyms | None |
|---|
| Smiles | CN1C(=O)[C@@H](N2CCc3c(nn(Cc4ccccc4)c3Br)C2=O)COc2ccccc21 |
|---|
| Inchi | InChI=1S/C23H21BrN4O3/c1-26-17-9-5-6-10-19(17)31-14-18(22(26)29)27-12-11-16-20(23(27)30)25-28(21(16)24)13-15-7-3-2-4-8-15/h2-10,18H,11-14H2,1H3/t18-/m0/s1 |
|---|
| Inchi Key | KHVVJKLNKLQLJZ-SFHVURJKSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 364.0 |
|---|
| Bioactivities | 461.0 |
|---|
| Np Likeness Score | -0.65 |
|---|
| Records Key | ['EUB0000720', 'EUB0000720a', 'EUB0000720a', 'EUB0000720a', 'EUB0000720a', 'EUB0000720a'] |
|---|
| Records Name | ['TP_030_2', 'TP_030_2', 'TP_030_2', 'TP_030_2', 'TP_030_2', 'TP_030_2'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
