Molecule card · MolClass #50543
17510108
17510108: 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
- 17510108Mitochondrial Fusion · compound_name
- MolClass ID
- 50543
- InChIKey
- QTUBLJQKQPSHAO-ZRDIBKRKSA-N
- Canonical SMILES
- O=C4C=C(C=Cc1ccccc1)Oc3c4(ccc2ccccc23)
- Standard InChI
- InChI=1S/C21H14O2/c22-20-14-17(12-10-15-6-2-1-3-7-15)23-21-18-9-5-4-8-16(18)11-13-19(20)21/h1-14H/b12-10+
- Stored Murcko scaffold
- O1C(C=Cc2ccccc2)=C[CH]c3ccc4ccccc4c13
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
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 26.3 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 298.335 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.17
- 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 · 17510108