Molecule card · MolClass #43679
864915
864915: 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
- 864915Mitochondrial Fusion · compound_name
- MolClass ID
- 43679
- InChIKey
- DNTFENGPQCZHEO-UHFFFAOYSA-N
- Canonical SMILES
- O=C1NC(Oc2ccccc12)c3ccc4OCOc4(c3)
- Standard InChI
- InChI=1S/C15H11NO4/c17-14-10-3-1-2-4-11(10)20-15(16-14)9-5-6-12-13(7-9)19-8-18-12/h1-7,15H,8H2,(H,16,17)
- Stored Murcko scaffold
- O1c2ccc(cc2OC1)C3Oc4ccccc4[CH]N3
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
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 56.79 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 269.253 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.571
- 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 · 864915