Molecule card · MolClass #48555
843549
843549: 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
- 843549Mitochondrial Fusion · compound_name
- MolClass ID
- 48555
- InChIKey
- UWMPKFYTOZOTPE-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc5c(c1)c2CCCC4c2n5(CCN4(C(=O)CN3CCN(C)CC3))
- Standard InChI
- InChI=1S/C22H30N4O/c1-16-6-7-19-18(14-16)17-4-3-5-20-22(17)26(19)13-12-25(20)21(27)15-24-10-8-23(2)9-11-24/h6-7,14,20H,3-5,8-13,15H2,1-2H3
- Stored Murcko scaffold
- c1ccc2c(c1)c3c4n2CCN([CH]CN5CCNCC5)C4CCC3
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 31.72 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 366.501 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.314
- 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 · 843549