Molecule card · MolClass #46939
14741517
14741517: 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
- 14741517Mitochondrial Fusion · compound_name
- MolClass ID
- 46939
- InChIKey
- HSPCCPQZARVXNF-UHFFFAOYSA-N
- Canonical SMILES
- CN3c4ccccc4(C(=O)C(c1cccs1)=C3(NC(=O)c2ccccc2))
- Standard InChI
- InChI=1S/C21H16N2O2S/c1-23-16-11-6-5-10-15(16)19(24)18(17-12-7-13-26-17)20(23)22-21(25)14-8-3-2-4-9-14/h2-13H,1H3,(H,22,25)
- Stored Murcko scaffold
- s1cccc1C=2[CH]c3ccccc3NC2N[CH]c4ccccc4
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
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 77.65 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 360.431 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.476
- 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 · 14741517