Molecule card · MolClass #51256
17388078
17388078: 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
- 17388078Mitochondrial Fusion · compound_name
- MolClass ID
- 51256
- InChIKey
- QCOXZRVVKMVMKF-UHFFFAOYSA-N
- Canonical SMILES
- O=C(CCCOc1ccc(cc1Cl)Cl)N3CCCc2ccccc23
- Standard InChI
- InChI=1S/C19H19Cl2NO2/c20-15-9-10-18(16(21)13-15)24-12-4-8-19(23)22-11-3-6-14-5-1-2-7-17(14)22/h1-2,5,7,9-10,13H,3-4,6,8,11-12H2
- Stored Murcko scaffold
- O(c1ccccc1)CCC[CH]N2c3ccccc3CCC2
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 29.54 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 364.266 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.781
- 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 · 17388078