Molecule card · MolClass #38534
24784164
24784164: 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
- 24784164Mitochondrial Fusion · compound_name
- MolClass ID
- 38534
- InChIKey
- ZYQIVQZIUQVUTR-UHFFFAOYSA-N
- Canonical SMILES
- CC(=O)c3cc(CN2CCN(C1CCCCC1)C(CCO)C2)cs3
- Standard InChI
- InChI=1S/C19H30N2O2S/c1-15(23)19-11-16(14-24-19)12-20-8-9-21(18(13-20)7-10-22)17-5-3-2-4-6-17/h11,14,17-18,22H,2-10,12-13H2,1H3
- Stored Murcko scaffold
- s1ccc(c1)CN2CCN(CC2)C3CCCCC3
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
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 72.02 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 350.521 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.824
- 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 · 24784164