| BioID | bio200538 |
|---|
| Name | AES-103 |
|---|
| ChEMBL ID | CHEMBL185885 |
|---|
| Molecular Formula | C6H6O3 |
|---|
| Molecular Weight | 126.11 |
|---|
| Molecular Weight (Monoisotopic) | 126.0317 |
|---|
| Type | Small molecule |
|---|
| Max Phase | Phase 2 |
|---|
| Target ID | Tar81 |
|---|
| Target Name | None |
|---|
| Synonyms | 5-(HYDROXYMETHYL)-2-FURALDEHYDE|5-(HYDROXYMETHYL)-2-FURANCARBONAL|5-(HYDROXYMETHYL)-2-FURFURAL|5-HYDROXYMETHYL-2-FURFURALDEHYDE|AES-103|NSC-40738 |
|---|
| Smiles | O=Cc1ccc(CO)o1 |
|---|
| Inchi | InChI=1S/C6H6O3/c7-3-5-1-2-6(4-8)9-5/h1-3,8H,4H2 |
|---|
| Inchi Key | NOEGNKMFWQHSLB-UHFFFAOYSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 23.0 |
|---|
| Bioactivities | 45.0 |
|---|
| Np Likeness Score | 0.62 |
|---|
| Records Key | ['39', 'KL-1', 'SID17389229', '5HMF', '7', 'SID144213856', 'SID144209090', '1; 5HMF', '5', '5-(Hydroxymethyl)furan-2-carbaldehyde', 'AES-103', '5-hydroxymethyl-furfural', '5-hydroxy-methylfurfural', '5-(Hydroxymethyl)furan-2-carbaldehyde', '5-(Hydroxymethyl)furan-2-carbaldehyde', '5-(HYDROXYMETHYL)FURAN-2-CARBALDEHYDE', '5-(Hydroxymethyl)furan-2-carbaldehyde', '5-hydroxymethyl-furfural', '5-(Hydroxymethyl)furan-2-carbaldehyde', '102'] |
|---|
| Records Name | ['5-(hydroxymethyl)furan-2-carbaldehyde', '5-(hydroxymethyl)furan-2-carbaldehyde', 'SID17389229', '5-Hydroxymethyl-furan-2-carbaldehyde', '5-(hydroxymethyl)-2-furfural', 'SID144213856', 'SID144209090', '5-(hydroxymethyl)furan-2-carbaldehyde', '5-hydroxymethylfurfural', '5-(Hydroxymethyl)furan-2-carbaldehyde', 'AES-103', '5-hydroxymethyl-furfural', '5-hydroxy-methylfurfural', '5-(Hydroxymethyl)furan-2-carbaldehyde', '5-(Hydroxymethyl)furan-2-carbaldehyde', '5-(HYDROXYMETHYL)FURAN-2-CARBALDEHYDE', '5-(Hydroxymethyl)furan-2-carbaldehyde', '5-hydroxymethyl-furfural', '5-(Hydroxymethyl)furan-2-carbaldehyde', '5-hydroxymethyl-2-furaldehyde'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | 0 |
|---|
