Molecule card · MolClass #47366
24779540
24779540: 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
- 24779540Mitochondrial Fusion · compound_name
- MolClass ID
- 47366
- InChIKey
- ARGSQLKEDIFCQD-UHFFFAOYSA-N
- Canonical SMILES
- Cc3c(C(=O)C(=O)NCc1cccs1)c2ccccc2n3(C)
- Standard InChI
- InChI=1S/C17H16N2O2S/c1-11-15(13-7-3-4-8-14(13)19(11)2)16(20)17(21)18-10-12-6-5-9-22-12/h3-9H,10H2,1-2H3,(H,18,21)
- Stored Murcko scaffold
- s1cccc1CN[CH][CH]c2c[nH]c3ccccc23
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 79.34 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 312.388 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.424
- 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 · 24779540