Molecule card · MolClass #48605
7968429
7968429: 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
- 7968429Mitochondrial Fusion · compound_name
- MolClass ID
- 48605
- InChIKey
- BEFRGYSANPGLGJ-UHFFFAOYSA-N
- Canonical SMILES
- Cc4ccc5OC(=O)c3cnn(CC(=O)N(CCCN1CCOCC1)Cc2ccco2)c3c5(c4)
- Standard InChI
- InChI=1S/C25H28N4O5/c1-18-5-6-22-20(14-18)24-21(25(31)34-22)15-26-29(24)17-23(30)28(16-19-4-2-11-33-19)8-3-7-27-9-12-32-13-10-27/h2,4-6,11,14-15H,3,7-10,12-13,16-17H2,1H3
- Stored Murcko scaffold
- n1cc2[CH]Oc3ccccc3-c2n1C[CH]N(Cc4occc4)CCCN5CCOCC5
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 9
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 90.04 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 464.515 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.076
- 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 · 7968429