Molecule card · MolClass #47982
861795
861795: 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
- 861795Mitochondrial Fusion · compound_name
- MolClass ID
- 47982
- InChIKey
- BVPOCCOWHWFXKN-ZHACJKMWSA-N
- Canonical SMILES
- CCCCCCC(O)=C1C(=O)NC(=O)N(CC=C)C1(=O)
- Standard InChI
- InChI=1S/C14H20N2O4/c1-3-5-6-7-8-10(17)11-12(18)15-14(20)16(9-4-2)13(11)19/h4,17H,2-3,5-9H2,1H3,(H,15,18,20)/b11-10+
- Stored Murcko scaffold
- [N]1[CH][CH][CH]N[CH]1
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
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 86.71 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 280.32 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.467
- 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 · 861795