Molecule card · MolClass #51473
14742373
14742373: 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
- 14742373Mitochondrial Fusion · compound_name
- MolClass ID
- 51473
- InChIKey
- RHTBAZIQWXIZIT-UHFFFAOYSA-N
- Canonical SMILES
- CC1CCN(CC1)C(=O)c3ccc2C(=O)c4ccccc4(C(=O)c2c3(NCCO))
- Standard InChI
- InChI=1S/C23H24N2O4/c1-14-8-11-25(12-9-14)23(29)18-7-6-17-19(20(18)24-10-13-26)22(28)16-5-3-2-4-15(16)21(17)27/h2-7,14,24,26H,8-13H2,1H3
- Stored Murcko scaffold
- c1ccc2cc3cc(ccc3cc2c1)[CH]N4CCCCC4
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
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 86.71 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 392.449 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.393
- 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 · 14742373