Molecule card · MolClass #50703
17504631
17504631: 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
- 17504631Mitochondrial Fusion · compound_name
- MolClass ID
- 50703
- InChIKey
- MAOZCGXBYVHQHF-UHFFFAOYSA-N
- Canonical SMILES
- Fc4ccccc4(Nc2nc1c3ccccc3(CCc1s2))
- Standard InChI
- InChI=1S/C17H13FN2S/c18-13-7-3-4-8-14(13)19-17-20-16-12-6-2-1-5-11(12)9-10-15(16)21-17/h1-8H,9-10H2,(H,19,20)
- Stored Murcko scaffold
- n1c(sc2c1-c3ccccc3CC2)Nc4ccccc4
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
- 2
- 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
- 53.16 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 296.364 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.584
- 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 · 17504631