| BioID | bio197620 |
|---|
| Name | None |
|---|
| ChEMBL ID | CHEMBL396506 |
|---|
| Molecular Formula | C38H52N6O5 |
|---|
| Molecular Weight | 672.87 |
|---|
| Molecular Weight (Monoisotopic) | 672.3999 |
|---|
| Type | Small molecule |
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| Max Phase | -- |
|---|
| Target ID | Tar81 |
|---|
| Target Name | None |
|---|
| Synonyms | 3,6-Bis-[N-allyl-Dmt-NH-propyl]-2(1H)-pyrazinone |
|---|
| Smiles | C=CCN[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N(CCC)c1cnc(N(CCC)C(=O)[C@H](Cc2c(C)cc(O)cc2C)NCC=C)c(=O)[nH]1 |
|---|
| Inchi | InChI=1S/C38H52N6O5/c1-9-13-39-32(21-30-24(5)17-28(45)18-25(30)6)37(48)43(15-11-3)34-23-41-35(36(47)42-34)44(16-12-4)38(49)33(40-14-10-2)22-31-26(7)19-29(46)20-27(31)8/h9-10,17-20,23,32-33,39-40,45-46H,1-2,11-16,21-22H2,3-8H3,(H,42,47)/t32-,33-/m0/s1 |
|---|
| Inchi Key | NWDZARLHJWJMPM-LQJZCPKCSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 6.0 |
|---|
| Bioactivities | 10.0 |
|---|
| Np Likeness Score | -0.24 |
|---|
| Records Key | ['19, 3,6-Bis-[N-allyl-Dmt-NH-propyl]-2(1H)-pyrazinone'] |
|---|
| Records Name | ['(S)-2-allylamino-N-(5-{[(S)-2-allylamino-3-(4-hydroxy-2,6-dimethyl-phenyl)-propionyl]-propyl-amino}-3-oxo-3,4-dihydro-pyrazin-2-yl)-3-(4-hydroxy-2,6-dimethyl-phenyl)-N-propyl-propionamide'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
