Molecule card · MolClass #43327
7969121
7969121: 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
- 7969121Mitochondrial Fusion · compound_name
- MolClass ID
- 43327
- InChIKey
- MAHAWAMCLJLSEV-UHFFFAOYSA-N
- Canonical SMILES
- CCOC(=O)N1CCN(CC1)C=3C(=O)C(=O)C=3(NCc2cccs2)
- Standard InChI
- InChI=1S/C16H19N3O4S/c1-2-23-16(22)19-7-5-18(6-8-19)13-12(14(20)15(13)21)17-10-11-4-3-9-24-11/h3-4,9,17H,2,5-8,10H2,1H3
- Stored Murcko scaffold
- [N]1CCN(C=2[CH][CH]C2NCc3sccc3)CC1
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
- 7
- 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
- 107.19 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 349.406 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.352
- 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 · 7969121