Molecule card · MolClass #42865
7966474
7966474: 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
- 7966474Mitochondrial Fusion · compound_name
- MolClass ID
- 42865
- InChIKey
- XALIVGVMFVGUBJ-UHFFFAOYSA-N
- Canonical SMILES
- CCC(Cc1ccccc1)NC(=O)CN3C(=O)CSc2ncccc23
- Standard InChI
- InChI=1S/C19H21N3O2S/c1-2-15(11-14-7-4-3-5-8-14)21-17(23)12-22-16-9-6-10-20-19(16)25-13-18(22)24/h3-10,15H,2,11-13H2,1H3,(H,21,23)
- Stored Murcko scaffold
- n1cccc2c1SC[CH]N2C[CH]NCCc3ccccc3
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
- 5
- 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
- 87.6 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 355.456 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.052
- 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 · 7966474