Molecule card · MolClass #51404
14744206
14744206: 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
- 14744206Mitochondrial Fusion · compound_name
- MolClass ID
- 51404
- InChIKey
- ORCDWZCHRCYHIM-UHFFFAOYSA-N
- Canonical SMILES
- CC2CCCCC2(NC(Nc1ccc(cc1)SC(F)F)=S)
- Standard InChI
- InChI=1S/C15H20F2N2S2/c1-10-4-2-3-5-13(10)19-15(20)18-11-6-8-12(9-7-11)21-14(16)17/h6-10,13-14H,2-5H2,1H3,(H2,18,19,20)
- Stored Murcko scaffold
- c1ccc(cc1)N[CH]NC2CCCCC2
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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 81.45 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 330.462 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.044
- 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 · 14744206