Molecule card · MolClass #51667
14732092
14732092: 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
- 14732092Mitochondrial Fusion · compound_name
- MolClass ID
- 51667
- InChIKey
- BMEBNMBANZRCJA-UHFFFAOYSA-N
- Canonical SMILES
- O=C(NCc1ccccc1)c2ccc(cc2)C(=O)N(C3CCCCC3)C4CCCCC4
- Standard InChI
- InChI=1S/C27H34N2O2/c30-26(28-20-21-10-4-1-5-11-21)22-16-18-23(19-17-22)27(31)29(24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1,4-5,10-11,16-19,24-25H,2-3,6-9,12-15,20H2,(H,28,30)
- Stored Murcko scaffold
- c1ccc(cc1)CN[CH]c2ccc(cc2)[CH]N(C3CCCCC3)C4CCCCC4
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 8
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 49.41 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 418.572 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 6.34
- 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 · 14732092