Molecule card · MolClass #51469
14742364
14742364: 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
- 14742364Mitochondrial Fusion · compound_name
- MolClass ID
- 51469
- InChIKey
- MCIJTOLJMIEKKJ-UHFFFAOYSA-N
- Canonical SMILES
- COc2ccccc2(CCN1C(NC(C)(C)CC1(C)(O))=S)
- Standard InChI
- InChI=1S/C16H24N2O2S/c1-15(2)11-16(3,19)18(14(21)17-15)10-9-12-7-5-6-8-13(12)20-4/h5-8,19H,9-11H2,1-4H3,(H,17,21)
- Stored Murcko scaffold
- c1ccc(cc1)CCN2[CH]NCCC2
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
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 76.82 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 308.441 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.498
- 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 · 14742364