Molecule card · MolClass #44607
3715200
3715200: 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
- 3715200Mitochondrial Fusion · compound_name
- MolClass ID
- 44607
- InChIKey
- GIPDMYHMNFDUKZ-UHFFFAOYSA-N
- Canonical SMILES
- CCc2nnc(NC(=O)Cn1ccc(n1)C(F)(F)F)s2
- Standard InChI
- InChI=1S/C10H10F3N5OS/c1-2-8-15-16-9(20-8)14-7(19)5-18-4-3-6(17-18)10(11,12)13/h3-4H,2,5H2,1H3,(H,14,16,19)
- Stored Murcko scaffold
- n1nc(sc1)N[CH]Cn2nccc2
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 100.94 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 305.281 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.978
- 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 · 3715200