Molecule card · MolClass #51842
14725204
14725204: 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
- 14725204Mitochondrial Fusion · compound_name
- MolClass ID
- 51842
- InChIKey
- XUXQFTQPYZTGDB-UHFFFAOYSA-N
- Canonical SMILES
- O=C(NCC1(CCCC1)c2ccccc2)C3(CCCC3)c4ccccc4
- Standard InChI
- InChI=1S/C24H29NO/c26-22(24(17-9-10-18-24)21-13-5-2-6-14-21)25-19-23(15-7-8-16-23)20-11-3-1-4-12-20/h1-6,11-14H,7-10,15-19H2,(H,25,26)
- Stored Murcko scaffold
- c1ccc(cc1)C2([CH]NCC3(c4ccccc4)CCCC3)CCCC2
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
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 29.1 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 347.494 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 6.121
- 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 · 14725204