Molecule card · MolClass #51780
14728475
14728475: 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
- 14728475Mitochondrial Fusion · compound_name
- MolClass ID
- 51780
- InChIKey
- SAEHMIZWWOZNAP-UHFFFAOYSA-N
- Canonical SMILES
- CC(C)CC(COCc1cccc(C)c1)N2CCN(CCC2(=O))C(=O)c3ccc(cc3)C(C)(C)C
- Standard InChI
- InChI=1S/C30H42N2O3/c1-22(2)18-27(21-35-20-24-9-7-8-23(3)19-24)32-17-16-31(15-14-28(32)33)29(34)25-10-12-26(13-11-25)30(4,5)6/h7-13,19,22,27H,14-18,20-21H2,1-6H3
- Stored Murcko scaffold
- O(Cc1ccccc1)CCN2[CH]CCN([CH]c3ccccc3)CC2
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 10
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 49.85 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 478.667 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 6.5
- 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 · 14728475