Molecule card · MolClass #43355
3716783
3716783: 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
- 3716783Mitochondrial Fusion · compound_name
- MolClass ID
- 43355
- InChIKey
- SREKFVYWFHWCJD-UHFFFAOYSA-N
- Canonical SMILES
- C1CC=C(CC1)CCNc3nnnn3(c2ccccc2)
- Standard InChI
- InChI=1S/C15H19N5/c1-3-7-13(8-4-1)11-12-16-15-17-18-19-20(15)14-9-5-2-6-10-14/h2,5-7,9-10H,1,3-4,8,11-12H2,(H,16,17,19)
- Stored Murcko scaffold
- n1nc(NCCC2=CCCCC2)n(n1)-c3ccccc3
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 55.63 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 269.345 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.072
- 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 · 3716783