Molecule card · MolClass #52073
4260541
4260541: 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
- 4260541Mitochondrial Fusion · compound_name
- MolClass ID
- 52073
- InChIKey
- RXZVXOLXBOIXNY-UHFFFAOYSA-N
- Canonical SMILES
- O=C(NCc1ccco1)c2cc(on2)c3ccccc3
- Standard InChI
- InChI=1S/C15H12N2O3/c18-15(16-10-12-7-4-8-19-12)13-9-14(20-17-13)11-5-2-1-3-6-11/h1-9H,10H2,(H,16,18)
- Stored Murcko scaffold
- n1oc(cc1[CH]NCc2occc2)-c3ccccc3
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
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 68.27 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 268.268 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.427
- 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 · 4260541