Molecule card · MolClass #41815
865595
865595: 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
- 865595Mitochondrial Fusion · compound_name
- MolClass ID
- 41815
- InChIKey
- ANUHASMPFOGYBW-UHFFFAOYSA-N
- Canonical SMILES
- O=C5NC(=O)C3(Cc1ccccc1N2CCCC23)(C(=O)N5(Cc4ccccc4))
- Standard InChI
- InChI=1S/C22H21N3O3/c26-19-22(13-16-9-4-5-10-17(16)24-12-6-11-18(22)24)20(27)25(21(28)23-19)14-15-7-2-1-3-8-15/h1-5,7-10,18H,6,11-14H2,(H,23,26,28)
- Stored Murcko scaffold
- c1ccc(cc1)CN2[CH]N[CH]C3([CH]2)Cc4ccccc4N5CCCC53
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 69.72 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 375.421 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.831
- 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 · 865595