Molecule card · MolClass #52467
851015
851015: 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
- 851015Mitochondrial Fusion · compound_name
- MolClass ID
- 52467
- InChIKey
- SUJQLRSDTLZSLQ-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cccc(c1)NC(=O)N(Cc2nc(O)c3ccccc3(n2))C4CCCC4
- Standard InChI
- InChI=1S/C22H24N4O2/c1-15-7-6-8-16(13-15)23-22(28)26(17-9-2-3-10-17)14-20-24-19-12-5-4-11-18(19)21(27)25-20/h4-8,11-13,17H,2-3,9-10,14H2,1H3,(H,23,28)(H,24,25,27)
- Stored Murcko scaffold
- n1cc2ccccc2nc1CN([CH]Nc3ccccc3)C4CCCC4
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
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 78.35 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 376.452 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.937
- 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 · 851015