Molecule card · MolClass #39044
24803495
24803495: 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
- 24803495Mitochondrial Fusion · compound_name
- MolClass ID
- 39044
- InChIKey
- ZAVGHHQBUCUPQN-UHFFFAOYSA-N
- Canonical SMILES
- CC36(c1ccccc1C(c2ccccc23)C5C(=O)N(c4ccncc4)C(=O)C56)
- Standard InChI
- InChI=1S/C24H18N2O2/c1-24-17-8-4-2-6-15(17)19(16-7-3-5-9-18(16)24)20-21(24)23(28)26(22(20)27)14-10-12-25-13-11-14/h2-13,19-21H,1H3
- Stored Murcko scaffold
- n1ccc(cc1)N2[CH]C3C([CH]2)C4c5ccccc5C3c6ccccc64
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 50.27 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 366.413 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.819
- 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 · 24803495