Molecule card · MolClass #43380
14725703
14725703: 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
- 14725703Mitochondrial Fusion · compound_name
- MolClass ID
- 43380
- InChIKey
- HPSQJMJRJOAOJA-UHFFFAOYSA-N
- Canonical SMILES
- Cc5cc1ccccc1n2c5(nnc2SCC(=O)N3CCc4ccccc4(C3))
- Standard InChI
- InChI=1S/C22H20N4OS/c1-15-12-17-7-4-5-9-19(17)26-21(15)23-24-22(26)28-14-20(27)25-11-10-16-6-2-3-8-18(16)13-25/h2-9,12H,10-11,13-14H2,1H3
- Stored Murcko scaffold
- n1nc2ccc3ccccc3n2c1SC[CH]N4Cc5ccccc5CC4
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 75.8 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 388.487 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.713
- 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 · 14725703