Molecule card · MolClass #45825
17513599
17513599: 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
- 17513599Mitochondrial Fusion · compound_name
- MolClass ID
- 45825
- InChIKey
- YQNVTWRFEXZXPQ-UHFFFAOYSA-N
- Canonical SMILES
- O=C4c1ccccc1C(=O)C34(OC3(c2ccc(cc2Cl)Cl))
- Standard InChI
- InChI=1S/C16H8Cl2O3/c17-8-5-6-11(12(18)7-8)15-16(21-15)13(19)9-3-1-2-4-10(9)14(16)20/h1-7,15H
- Stored Murcko scaffold
- O1C(c2ccccc2)C13[CH]c4ccccc4[CH]3
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 46.67 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 319.139 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.523
- 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 · 17513599