Molecule card · MolClass #51403
14744196
14744196: 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
- 14744196Mitochondrial Fusion · compound_name
- MolClass ID
- 51403
- InChIKey
- QRAASQPZCBBCKR-UHFFFAOYSA-N
- Canonical SMILES
- O=C(Nc2nc(COc1ccccc1)cs2)C45(CC3CC(CC(C3)C4)C5)
- Standard InChI
- InChI=1S/C21H24N2O2S/c24-19(21-9-14-6-15(10-21)8-16(7-14)11-21)23-20-22-17(13-26-20)12-25-18-4-2-1-3-5-18/h1-5,13-16H,6-12H2,(H,22,23,24)
- Stored Murcko scaffold
- n1c(scc1COc2ccccc2)N[CH]C34CC5CC(CC(C5)C3)C4
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 79.46 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 368.494 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.755
- 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 · 14744196