Molecule card · MolClass #38305
24820120
24820120: 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
- 24820120Mitochondrial Fusion · compound_name
- MolClass ID
- 38305
- InChIKey
- QUVBYDIHFHODIR-RIYZIHGNSA-N
- Canonical SMILES
- CN(C)C=Nc2nc3nccc(c1cccs1)n3(n2)
- Standard InChI
- InChI=1S/C12H12N6S/c1-17(2)8-14-11-15-12-13-6-5-9(18(12)16-11)10-4-3-7-19-10/h3-8H,1-2H3/b14-8+
- Stored Murcko scaffold
- n1cnn2c1nccc2-c3sccc3
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 86.92 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 272.33 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.191
- 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 · 24820120