Molecule card · MolClass #39470
24780304
24780304: 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
- 24780304Mitochondrial Fusion · compound_name
- MolClass ID
- 39470
- InChIKey
- YMCYFTCDBJCUJW-UWVGGRQHSA-N
- Canonical SMILES
- COCCCNc1nc4nonc4(nc1N3CC2CCC3(C2))
- Standard InChI
- InChI=1S/C14H20N6O2/c1-21-6-2-5-15-13-14(17-12-11(16-13)18-22-19-12)20-8-9-3-4-10(20)7-9/h9-10H,2-8H2,1H3,(H,15,16,18)/t9-,10-/m0/s1
- Stored Murcko scaffold
- n1onc2nc(cnc12)N3CC4CCC3C4
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
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 89.2 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 304.348 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.868
- 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 · 24780304