Molecule card · MolClass #51661
14732875
14732875: 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
- 14732875Mitochondrial Fusion · compound_name
- MolClass ID
- 51661
- InChIKey
- UURBRZKJWCTBHS-UHFFFAOYSA-N
- Canonical SMILES
- O=C(NC1CCCCC1)C2(CCCCC2)N(Cc3ccco3)C(=O)c4ccc5OCOc5(c4)
- Standard InChI
- InChI=1S/C26H32N2O5/c29-24(19-11-12-22-23(16-19)33-18-32-22)28(17-21-10-7-15-31-21)26(13-5-2-6-14-26)25(30)27-20-8-3-1-4-9-20/h7,10-12,15-16,20H,1-6,8-9,13-14,17-18H2,(H,27,30)
- Stored Murcko scaffold
- o1cccc1CN([CH]c2ccc3OCOc3c2)C4([CH]NC5CCCCC5)CCCCC4
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
- 81.01 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 452.544 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.046
- 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 · 14732875