Molecule card · MolClass #42620
842468
842468: 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
- 842468Mitochondrial Fusion · compound_name
- MolClass ID
- 42620
- InChIKey
- GSSZIRDJOKLGGZ-UHFFFAOYSA-N
- Canonical SMILES
- C1CCC(CC1)CNc3c4CCCCc4(nc2nnnn23)
- Standard InChI
- InChI=1S/C15H22N6/c1-2-6-11(7-3-1)10-16-14-12-8-4-5-9-13(12)17-15-18-19-20-21(14)15/h11,16H,1-10H2
- Stored Murcko scaffold
- n1nc2nc3c(c(NCC4CCCCC4)n2n1)CCCC3
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
- 68 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 286.376 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.248
- 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 · 842468