| BioID | bio198517 |
|---|
| Name | MLi-2-NC |
|---|
| ChEMBL ID | CHEMBL4560589 |
|---|
| Molecular Formula | C22H27N5O2 |
|---|
| Molecular Weight | 393.49 |
|---|
| Molecular Weight (Monoisotopic) | 393.2165 |
|---|
| Type | Unknown |
|---|
| Max Phase | -- |
|---|
| Target ID | Tar81 |
|---|
| Target Name | None |
|---|
| Synonyms | None |
|---|
| Smiles | C[C@@H]1CN(c2cc(-c3nn(C)c4ccc(OC5(C)CC5)cc34)ncn2)C[C@H](C)O1 |
|---|
| Inchi | InChI=1S/C22H27N5O2/c1-14-11-27(12-15(2)28-14)20-10-18(23-13-24-20)21-17-9-16(29-22(3)7-8-22)5-6-19(17)26(4)25-21/h5-6,9-10,13-15H,7-8,11-12H2,1-4H3/t14-,15+ |
|---|
| Inchi Key | YGCZGTCXWBPTDC-GASCZTMLSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 447.0 |
|---|
| Bioactivities | 1318.0 |
|---|
| Np Likeness Score | -0.87 |
|---|
| Records Key | ['EUB0000706', 'EUB0000706a', 'EUB0000706a', 'EUB0000706a', 'EUB0000706a', 'EUB0000706a'] |
|---|
| Records Name | ['MLi_2_NC', 'MLi-2-NC', 'MLi-2-NC', 'MLi-2-NC', 'MLi-2-NC', 'MLi-2-NC'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
