| BioID | bio198861 |
|---|
| Name | (S)-2-METHYLHEPTYL ISONICOTINATE |
|---|
| ChEMBL ID | CHEMBL1744047 |
|---|
| Molecular Formula | C14H21NO2 |
|---|
| Molecular Weight | 235.33 |
|---|
| Molecular Weight (Monoisotopic) | 235.1572 |
|---|
| Type | Small molecule |
|---|
| Max Phase | -- |
|---|
| Target ID | Tar81 |
|---|
| Target Name | None |
|---|
| Synonyms | Isonicotinic Acid 2-Methyl-Heptyl Ester |
|---|
| Smiles | CCCCC[C@H](C)COC(=O)c1ccncc1 |
|---|
| Inchi | InChI=1S/C14H21NO2/c1-3-4-5-6-12(2)11-17-14(16)13-7-9-15-10-8-13/h7-10,12H,3-6,11H2,1-2H3/t12-/m0/s1 |
|---|
| Inchi Key | SJGJCJLSSXJWOR-LBPRGKRZSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 6.0 |
|---|
| Bioactivities | 10.0 |
|---|
| Np Likeness Score | 0.13 |
|---|
| Records Key | ['(S)-(-)-1', '(S)-(-)-1'] |
|---|
| Records Name | ['Isonicotinic acid 2-methyl-heptyl ester', '(S)-2-methylheptyl isonicotinate'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
