Molecule card · MolClass #49066
24825684
24825684: 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
- 24825684Mitochondrial Fusion · compound_name
- MolClass ID
- 49066
- InChIKey
- OMSAMJHCTBPJHS-UHFFFAOYSA-N
- Canonical SMILES
- CC1(CC1(Cl)Cl)(C(=O)OCC(=O)Nc2ccc3ccccc3(c2))
- Standard InChI
- InChI=1S/C17H15Cl2NO3/c1-16(10-17(16,18)19)15(22)23-9-14(21)20-13-7-6-11-4-2-3-5-12(11)8-13/h2-8H,9-10H2,1H3,(H,20,21)
- Stored Murcko scaffold
- O([CH]C1CC1)C[CH]Nc2ccc3ccccc3c2
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 55.4 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 352.212 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.449
- 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 · 24825684