Molecule card · MolClass #47920
24824511
24824511: 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
- 24824511Mitochondrial Fusion · compound_name
- MolClass ID
- 47920
- InChIKey
- TTZMUQGRABVCDG-UHFFFAOYSA-N
- Canonical SMILES
- N#CC=3C(=O)OCC=3(c1ccc(cc1)c2ccccc2)
- Standard InChI
- InChI=1S/C17H11NO2/c18-10-15-16(11-20-17(15)19)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9H,11H2
- Stored Murcko scaffold
- O1[CH]C=C(c2ccc(cc2)-c3ccccc3)C1
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 50.09 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 261.275 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.454
- 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 · 24824511