Molecule card · MolClass #41008
14724467
14724467: 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
- 14724467Mitochondrial Fusion · compound_name
- MolClass ID
- 41008
- InChIKey
- XODVKFNJJDPTDS-UHFFFAOYSA-N
- Canonical SMILES
- CC5=C(NC(=O)c1ccc3CCc2cccc1c23)C(=O)N(c4ccccc4)N5(C)
- Standard InChI
- InChI=1S/C24H21N3O2/c1-15-22(24(29)27(26(15)2)18-8-4-3-5-9-18)25-23(28)20-14-13-17-12-11-16-7-6-10-19(20)21(16)17/h3-10,13-14H,11-12H2,1-2H3,(H,25,28)
- Stored Murcko scaffold
- c1ccc(cc1)N2[CH]C(=CN2)N[CH]c3ccc4c5c3cccc5CC4
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 52.65 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 383.443 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.636
- 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 · 14724467