Molecule card · MolClass #51321
16953222
16953222: 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
- 16953222Mitochondrial Fusion · compound_name
- MolClass ID
- 51321
- InChIKey
- QTMQYACAPAELBI-UHFFFAOYSA-N
- Canonical SMILES
- CC1CC1C(=O)OCC(=O)NCc2ccc(cc2Cl)Cl
- Standard InChI
- InChI=1S/C14H15Cl2NO3/c1-8-4-11(8)14(19)20-7-13(18)17-6-9-2-3-10(15)5-12(9)16/h2-3,5,8,11H,4,6-7H2,1H3,(H,17,18)
- Stored Murcko scaffold
- O([CH]C1CC1)C[CH]NCc2ccccc2
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
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 55.4 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 316.18 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.081
- 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 · 16953222