| BioID | bio64030 |
|---|
| Name | ADICILLIN |
|---|
| ChEMBL ID | CHEMBL2023705 |
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| Molecular Formula | C14H21N3O6S |
|---|
| Molecular Weight | 359.4 |
|---|
| Molecular Weight (Monoisotopic) | 359.1151 |
|---|
| Type | Small molecule |
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| Max Phase | Phase 2 |
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| Target ID | Tar47 |
|---|
| Target Name | None |
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| Synonyms | ADICILINA|ADICILLIN|ADICILLINE|CEPHALOSPORIN N|NSC-113137|PENICILLIN N|SALMOTIN|SYNNEMATIN B |
|---|
| Smiles | CC1(C)S[C@@H]2[C@H](NC(=O)CCC[C@@H](N)C(=O)O)C(=O)N2[C@H]1C(=O)O |
|---|
| Inchi | InChI=1S/C14H21N3O6S/c1-14(2)9(13(22)23)17-10(19)8(11(17)24-14)16-7(18)5-3-4-6(15)12(20)21/h6,8-9,11H,3-5,15H2,1-2H3,(H,16,18)(H,20,21)(H,22,23)/t6-,8-,9+,11-/m1/s1 |
|---|
| Inchi Key | MIFYHUACUWQUKT-GPUHXXMPSA-N |
|---|
| Molecular Species | ZWITTERION |
|---|
| Targets | 61.0 |
|---|
| Bioactivities | 62.0 |
|---|
| Np Likeness Score | 0.94 |
|---|
| Records Key | ['1 (Penicillin N)', 'ADICILLIN', '17', 'SID410541'] |
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| Records Name | ['(2S,6R)-6-(5-Amino-5-carboxy-pentanoylamino)-3,3-dimethyl-7-oxo-4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid', 'ADICILLIN', 'Penicillin N', 'SID410541'] |
|---|
| Withdrawn Flag | False |
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| Orphan | 0 |
|---|
