Molecule card · MolClass #51449
14743216
14743216: 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
- 14743216Mitochondrial Fusion · compound_name
- MolClass ID
- 51449
- InChIKey
- VIESHXSFIHQWQM-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1)C(=O)N4c2ccccc2N(Cc3ccccc3)C(=O)C4(C)(C)
- Standard InChI
- InChI=1S/C25H24N2O2/c1-18-13-15-20(16-14-18)23(28)27-22-12-8-7-11-21(22)26(24(29)25(27,2)3)17-19-9-5-4-6-10-19/h4-16H,17H2,1-3H3
- Stored Murcko scaffold
- c1ccc(cc1)[CH]N2c3ccccc3N([CH]C2)Cc4ccccc4
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
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 40.62 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 384.471 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.776
- 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 · 14743216