Molecule card · MolClass #41911
3713000
3713000: 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
- 3713000Mitochondrial Fusion · compound_name
- MolClass ID
- 41911
- InChIKey
- SJRJIOQDTLOAQV-UHFFFAOYSA-N
- Canonical SMILES
- CC(=O)Nc1cccc2C(=O)NC(=O)c12
- Standard InChI
- InChI=1S/C10H8N2O3/c1-5(13)11-7-4-2-3-6-8(7)10(15)12-9(6)14/h2-4H,1H3,(H,11,13)(H,12,14,15)
- Stored Murcko scaffold
- c1ccc2c[nH]cc2c1
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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 75.27 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 204.183 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.246
- 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 · 3713000