Molecule card · MolClass #52415
858057
858057: 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
- 858057Mitochondrial Fusion · compound_name
- MolClass ID
- 52415
- InChIKey
- FIXGNCWNTHTYMQ-UHFFFAOYSA-N
- Canonical SMILES
- O=C3c1ccccc1c5onc4ccc(NCc2ccco2)c3c45
- Standard InChI
- InChI=1S/C19H12N2O3/c22-18-12-5-1-2-6-13(12)19-17-15(21-24-19)8-7-14(16(17)18)20-10-11-4-3-9-23-11/h1-9,20H,10H2
- Stored Murcko scaffold
- n1oc2c3ccccc3cc4c(ccc1c24)NCc5occc5
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
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 68.27 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 316.311 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.826
- 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 · 858057