Molecule card · MolClass #48723
24824513
24824513: 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
- 24824513Mitochondrial Fusion · compound_name
- MolClass ID
- 48723
- InChIKey
- BHJBXAIVUUAOQW-UHFFFAOYSA-N
- Canonical SMILES
- OC=3OCC4=Nc1cc5OCCOc5(cc1C(c2ccc(F)cc2)C=34)
- Standard InChI
- InChI=1S/C19H14FNO4/c20-11-3-1-10(2-4-11)17-12-7-15-16(24-6-5-23-15)8-13(12)21-14-9-25-19(22)18(14)17/h1-4,7-8,17,22H,5-6,9H2
- Stored Murcko scaffold
- N=1c2cc3OCCOc3cc2C(c4ccccc4)C5=COCC15
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 60.28 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 339.318 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.532
- 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 · 24824513