Molecule card · MolClass #48013
859292
859292: 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
- 859292Mitochondrial Fusion · compound_name
- MolClass ID
- 48013
- InChIKey
- OAMUYVRGBUXYCR-LZYBPNLTSA-N
- Canonical SMILES
- Oc2oc(nc2(C=Nc1cccc(c1)Cl))c3ccco3
- Standard InChI
- InChI=1S/C14H9ClN2O3/c15-9-3-1-4-10(7-9)16-8-11-14(18)20-13(17-11)12-5-2-6-19-12/h1-8,18H/b16-8+
- Stored Murcko scaffold
- N(=Cc1nc(oc1)-c2occc2)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
- 3
- 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
- 71.76 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 288.686 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.891
- 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 · 859292