Molecule card · MolClass #41932
24788465
24788465: 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
- 24788465Mitochondrial Fusion · compound_name
- MolClass ID
- 41932
- InChIKey
- CTEREOIIQXEBSO-UHFFFAOYSA-N
- Canonical SMILES
- Cc2cc(C(=O)Nc1ccon1)c(C)o2
- Standard InChI
- InChI=1S/C10H10N2O3/c1-6-5-8(7(2)15-6)10(13)11-9-3-4-14-12-9/h3-5H,1-2H3,(H,11,12,13)
- Stored Murcko scaffold
- n1occc1N[CH]c2cocc2
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
- 206.198 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.117
- 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 · 24788465