Molecule card · MolClass #51805
14728036
14728036: 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
- 14728036Mitochondrial Fusion · compound_name
- MolClass ID
- 51805
- InChIKey
- JZMBVKOYRYPAEE-UHFFFAOYSA-N
- Canonical SMILES
- O=C3c4ccccc4(CC3(Cc1ccccc1)(Cc2ccccc2))
- Standard InChI
- InChI=1S/C23H20O/c24-22-21-14-8-7-13-20(21)17-23(22,15-18-9-3-1-4-10-18)16-19-11-5-2-6-12-19/h1-14H,15-17H2
- Stored Murcko scaffold
- c1ccc(cc1)CC2([CH]c3ccccc3C2)Cc4ccccc4
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
- 1
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 17.07 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 312.405 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.959
- 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 · 14728036