Molecule card · MolClass #35694
17504459
17504459: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
1 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- Imported compound names
- 17504459Mitochondrial Fusion · compound_name
- MolClass ID
- 35694
- InChIKey
- AGYWXGQGXAFFPQ-UHFFFAOYSA-N
- Canonical SMILES
- Cc2nccc(O)c2(OC1OC(CO)C(O)C(O)C1(O))
- Standard InChI
- InChI=1S/C12H17NO7/c1-5-11(6(15)2-3-13-5)20-12-10(18)9(17)8(16)7(4-14)19-12/h2-3,7-10,12,14,16-18H,4H2,1H3,(H,13,15)
- Stored Murcko scaffold
- n1cccc(OC2OCCCC2)c1
Registry normalization: MIGRATED_RAW. A registry entry does not establish drug approval or clinical use.
Molecules with the same Murcko scaffold
Exact matches to the stored ring-and-linker framework. Sharing a scaffold does not by itself establish activity or applicability to a model.
No other molecules currently have this stored scaffold.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 7
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 5
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 132.5 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 287.266 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- -1.301
- CDK 2.12 · 2026-08-19
Saved model predictions
Computational predictions, not experimental measurements or clinical guidance. Results depend on the model build; applicability indicates similarity to its training chemistry.
No saved predictions yet. Explore classification models to choose a prediction.
Source datasets
Dataset registrations and identifiers stored in MolClass.
Mitochondrial Fusion
Dataset #19 · 17504459