Molecule card · MolClass #39146
7966447
7966447: 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
- 7966447Mitochondrial Fusion · compound_name
- MolClass ID
- 39146
- InChIKey
- LFJFVVRWPBZZPR-UHFFFAOYSA-N
- Canonical SMILES
- CC2CCc3nn(CC(=O)N1CCCCCC1)cc3(C2)
- Standard InChI
- InChI=1S/C16H25N3O/c1-13-6-7-15-14(10-13)11-19(17-15)12-16(20)18-8-4-2-3-5-9-18/h11,13H,2-10,12H2,1H3
- Stored Murcko scaffold
- n1c2c(cn1C[CH]N3CCCCCC3)CCCC2
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
- 3
- 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
- 38.13 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 275.39 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.576
- 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 · 7966447