Molecule card · MolClass #43866
4248627
4248627: 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
- 4248627Mitochondrial Fusion · compound_name
- MolClass ID
- 43866
- InChIKey
- IMMUXFJTXHNXGF-UHFFFAOYSA-N
- Canonical SMILES
- O=C1C=C(NC(=O)N1C2CCCCC2)N3CCOCC3
- Standard InChI
- InChI=1S/C14H21N3O3/c18-13-10-12(16-6-8-20-9-7-16)15-14(19)17(13)11-4-2-1-3-5-11/h10-11H,1-9H2,(H,15,19)
- Stored Murcko scaffold
- O1CCN(C2=C[CH]N([CH]N2)C3CCCCC3)CC1
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
- 61.88 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 279.335 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.516
- 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 · 4248627