Molecule card · MolClass #43463
24794974
24794974: 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
- 24794974Mitochondrial Fusion · compound_name
- MolClass ID
- 43463
- InChIKey
- DLEHJJPGKGNIMC-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc4c(c1)C(c2ccc(O)cc2)(c3ccc(O)cc3)C(=O)N4(C)
- Standard InChI
- InChI=1S/C22H19NO3/c1-14-3-12-20-19(13-14)22(21(26)23(20)2,15-4-8-17(24)9-5-15)16-6-10-18(25)11-7-16/h3-13,24-25H,1-2H3
- Stored Murcko scaffold
- [N]1[CH]C(c2ccccc2)(c3ccccc3)c4ccccc14
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
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 60.77 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 345.392 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.38
- 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 · 24794974