Molecule card · MolClass #51863
14724206
14724206: 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
- 14724206Mitochondrial Fusion · compound_name
- MolClass ID
- 51863
- InChIKey
- ITOVSSYSAXUENV-UHFFFAOYSA-N
- Canonical SMILES
- COC(=O)C4C(c1ccccc1)C(C(=O)OCc2ccco2)C4(c3ccccc3)
- Standard InChI
- InChI=1S/C24H22O5/c1-27-23(25)21-19(16-9-4-2-5-10-16)22(20(21)17-11-6-3-7-12-17)24(26)29-15-18-13-8-14-28-18/h2-14,19-22H,15H2,1H3
- Stored Murcko scaffold
- o1cccc1CO[CH]C2C(c3ccccc3)CC2c4ccccc4
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 8
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 65.74 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 390.429 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.345
- 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 · 14724206