Molecule card · MolClass #47721
24817337
24817337: 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
- 24817337Mitochondrial Fusion · compound_name
- MolClass ID
- 47721
- InChIKey
- RBFHXRKLRWRDMX-UHFFFAOYSA-N
- Canonical SMILES
- Cc2onc(c1ccccc1)c2C(=O)N5CCOC35(CCN(CC3)c4cccc(F)n4)
- Standard InChI
- InChI=1S/C23H23FN4O3/c1-16-20(21(26-31-16)17-6-3-2-4-7-17)22(29)28-14-15-30-23(28)10-12-27(13-11-23)19-9-5-8-18(24)25-19/h2-9H,10-15H2,1H3
- Stored Murcko scaffold
- n1occ([CH]N2CCOC23CCN(c4ncccc4)CC3)c1-c5ccccc5
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 71.7 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 422.453 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.444
- 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 · 24817337