Molecule card · MolClass #44868
24829031
24829031: 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
- 24829031Mitochondrial Fusion · compound_name
- MolClass ID
- 44868
- InChIKey
- XEFBWYKMZGWDSG-UHFFFAOYSA-N
- Canonical SMILES
- CC4(C)(C(=O)Nc1ccccc1N4(C(=O)CN3C(=O)NC(CCc2ccccc2)C3(=O)))
- Standard InChI
- InChI=1S/C23H24N4O4/c1-23(2)21(30)24-16-10-6-7-11-18(16)27(23)19(28)14-26-20(29)17(25-22(26)31)13-12-15-8-4-3-5-9-15/h3-11,17H,12-14H2,1-2H3,(H,24,30)(H,25,31)
- Stored Murcko scaffold
- c1ccc(cc1)CCC2[CH]N([CH]N2)C[CH]N3c4ccccc4N[CH]C3
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
- 8
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 98.82 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 420.462 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.814
- 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 · 24829031