Molecule card · MolClass #39478
24805416
24805416: 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
- 24805416Mitochondrial Fusion · compound_name
- MolClass ID
- 39478
- InChIKey
- HSEAINOXYUZJRJ-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cc2nnc(n2(c(N)n1))SCC(=O)N3CCCCCC3
- Standard InChI
- InChI=1S/C14H20N6OS/c1-10-8-11-17-18-14(20(11)13(15)16-10)22-9-12(21)19-6-4-2-3-5-7-19/h8H,2-7,9H2,1H3,(H2,15,16)
- Stored Murcko scaffold
- n1nc2ccncn2c1SC[CH]N3CCCCCC3
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
- 6
- 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
- 114.71 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 320.415 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.983
- 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 · 24805416