Molecule card · MolClass #49295
24814235
24814235: 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
- 24814235Mitochondrial Fusion · compound_name
- MolClass ID
- 49295
- InChIKey
- RZMUQZUNXIVQIV-UHFFFAOYSA-N
- Canonical SMILES
- Fc1ccc(cc1)C2c4cccn4(CCN2C(Nc3cccc(F)c3)=S)
- Standard InChI
- InChI=1S/C20H17F2N3S/c21-15-8-6-14(7-9-15)19-18-5-2-10-24(18)11-12-25(19)20(26)23-17-4-1-3-16(22)13-17/h1-10,13,19H,11-12H2,(H,23,26)
- Stored Murcko scaffold
- c1ccc(cc1)N[CH]N2CCn3cccc3C2c4ccccc4
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 52.29 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 369.433 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 6.046
- 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 · 24814235