Molecule card · MolClass #45300
7977062
7977062: 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
- 7977062Mitochondrial Fusion · compound_name
- MolClass ID
- 45300
- InChIKey
- FYLCLHXIPKWGMC-UHFFFAOYSA-N
- Canonical SMILES
- OC5(CN1CCOCC1)(C2CN3CCN(C2)CC5(C3)(c4ccccc4))
- Standard InChI
- InChI=1S/C20H29N3O2/c24-20(16-21-8-10-25-11-9-21)18-12-22-6-7-23(13-18)15-19(20,14-22)17-4-2-1-3-5-17/h1-5,18,24H,6-16H2
- Stored Murcko scaffold
- O1CCN(CC1)CC2C3CN4CCN(C3)CC2(c5ccccc5)C4
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 39.18 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 343.464 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- -0.191
- 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 · 7977062