Molecule card · MolClass #44562
7969354
7969354: 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
- 7969354Mitochondrial Fusion · compound_name
- MolClass ID
- 44562
- InChIKey
- VHOUCVFJMJKOGP-UHFFFAOYSA-N
- Canonical SMILES
- c1ccc3c(c1)nc(NCCN2CCOCC2)c4nncn34
- Standard InChI
- InChI=1S/C15H18N6O/c1-2-4-13-12(3-1)18-14(15-19-17-11-21(13)15)16-5-6-20-7-9-22-10-8-20/h1-4,11H,5-10H2,(H,16,18)
- Stored Murcko scaffold
- n1nc2c(nc3ccccc3n2c1)NCCN4CCOCC4
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
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 67.58 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 298.344 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.179
- 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 · 7969354