Molecule card · MolClass #40407
24812694
24812694: 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
- 24812694Mitochondrial Fusion · compound_name
- MolClass ID
- 40407
- InChIKey
- UKWYPMLVLZPMCI-UHFFFAOYSA-N
- Canonical SMILES
- CC4C3NC(=O)N(Cc1ccccc1)C4(C)(Oc2ccccc23)
- Standard InChI
- InChI=1S/C19H20N2O2/c1-13-17-15-10-6-7-11-16(15)23-19(13,2)21(18(22)20-17)12-14-8-4-3-5-9-14/h3-11,13,17H,12H2,1-2H3,(H,20,22)
- Stored Murcko scaffold
- O1c2ccccc2C3N[CH]N(Cc4ccccc4)C1C3
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 41.57 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 308.375 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.756
- 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 · 24812694