| BioID | bio197702 |
|---|
| Name | 1-(1H-1,2,4-TRIAZOL-5-YLAMINO)-3-((6-BROMO-2-METHYLQUINOLIN-4-YL)(PYRIDIN-4-YL)METHOXY)PROPAN-2-OL (STRUCTURAL MIX) |
|---|
| ChEMBL ID | CHEMBL1088552 |
|---|
| Molecular Formula | C21H21BrN6O2 |
|---|
| Molecular Weight | 469.34 |
|---|
| Molecular Weight (Monoisotopic) | 468.0909 |
|---|
| Type | Small molecule |
|---|
| Max Phase | -- |
|---|
| Target ID | Tar81 |
|---|
| Target Name | None |
|---|
| Synonyms | None |
|---|
| Smiles | Cc1cc(C(OCC(O)CNc2ncn[nH]2)c2ccncc2)c2cc(Br)ccc2n1 |
|---|
| Inchi | InChI=1S/C21H21BrN6O2/c1-13-8-18(17-9-15(22)2-3-19(17)27-13)20(14-4-6-23-7-5-14)30-11-16(29)10-24-21-25-12-26-28-21/h2-9,12,16,20,29H,10-11H2,1H3,(H2,24,25,26,28) |
|---|
| Inchi Key | RQBMICVMMGNTES-UHFFFAOYSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 1.0 |
|---|
| Bioactivities | 2.0 |
|---|
| Np Likeness Score | -1.15 |
|---|
| Records Key | ['12', '13'] |
|---|
| Records Name | ['1-(1H-1,2,4-Triazol-5-ylamino)-3-((6-bromo-2-methylquinolin-4-yl)(pyridin-4-yl)methoxy)propan-2-ol', '1-(1H-1,2,4-Triazol-3-ylamino)-3-((6-bromo-2-methylquinolin-4-yl)(pyridin-4-yl)methoxy)propan-2-ol'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
