Molecule card · MolClass #48914
24837698
24837698: 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
- 24837698Mitochondrial Fusion · compound_name
- MolClass ID
- 48914
- InChIKey
- HZQGDMOHFCQYDX-UHFFFAOYSA-N
- Canonical SMILES
- O=C(Nc1ccccc1N2CCOCC2)c3cc(F)cc(F)c3
- Standard InChI
- InChI=1S/C17H16F2N2O2/c18-13-9-12(10-14(19)11-13)17(22)20-15-3-1-2-4-16(15)21-5-7-23-8-6-21/h1-4,9-11H,5-8H2,(H,20,22)
- Stored Murcko scaffold
- O1CCN(c2ccccc2N[CH]c3ccccc3)CC1
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.
- 24808741#49379
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- 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
- 41.57 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 318.319 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.244
- 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 · 24837698