Molecule card · MolClass #51361
14745392
14745392: 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
- 14745392Mitochondrial Fusion · compound_name
- MolClass ID
- 51361
- InChIKey
- SFJVHFHVUUCIRS-UHFFFAOYSA-N
- Canonical SMILES
- c1ccc(cc1)c5cn4c(CCc3ccc2cccnc2c34)n5
- Standard InChI
- InChI=1S/C20H15N3/c1-2-5-14(6-3-1)17-13-23-18(22-17)11-10-16-9-8-15-7-4-12-21-19(15)20(16)23/h1-9,12-13H,10-11H2
- Stored Murcko scaffold
- n1cccc2ccc3c(c12)-n4cc(nc4CC3)-c5ccccc5
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
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 30.71 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 297.354 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.105
- 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 · 14745392