Molecule card · MolClass #40300
24795724
24795724: 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
- 24795724Mitochondrial Fusion · compound_name
- MolClass ID
- 40300
- InChIKey
- CVQDSTNLDJRZTC-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccccc1C2CC(Nc3nnnn23)c4cccs4
- Standard InChI
- InChI=1S/C15H15N5S/c1-10-5-2-3-6-11(10)13-9-12(14-7-4-8-21-14)16-15-17-18-19-20(13)15/h2-8,12-13H,9H2,1H3,(H,16,17,19)
- Stored Murcko scaffold
- n1nc2NC(c3sccc3)CC(c4ccccc4)n2n1
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.
- 24826938#43621
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
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 83.87 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 297.38 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.044
- 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 · 24795724