Molecule card · MolClass #39380
22412372
22412372: 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
- 22412372Mitochondrial Fusion · compound_name
- MolClass ID
- 39380
- InChIKey
- CZTYNKFSRSTALT-UHFFFAOYSA-N
- Canonical SMILES
- Cc1nnc(c2nn(c(C)c12)c3ccccc3(F))SCCN4CCOCC4
- Standard InChI
- InChI=1S/C19H22FN5OS/c1-13-17-14(2)25(16-6-4-3-5-15(16)20)23-18(17)19(22-21-13)27-12-9-24-7-10-26-11-8-24/h3-6H,7-12H2,1-2H3
- Stored Murcko scaffold
- n1nc(SCCN2CCOCC2)c3nn(cc3c1)-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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 81.37 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 387.476 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.68
- 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 · 22412372