Molecule card · MolClass #44099
24818824
24818824: 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
- 24818824Mitochondrial Fusion · compound_name
- MolClass ID
- 44099
- InChIKey
- SMFJPYFKEHUIKZ-UHFFFAOYSA-N
- Canonical SMILES
- CC2COc1ccccc1N2C(=O)c3cccnc3Cl
- Standard InChI
- InChI=1S/C15H13ClN2O2/c1-10-9-20-13-7-3-2-6-12(13)18(10)15(19)11-5-4-8-17-14(11)16/h2-8,10H,9H2,1H3
- Stored Murcko scaffold
- n1cccc(c1)[CH]N2c3ccccc3OCC2
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 42.43 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 288.729 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.759
- 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 · 24818824