Molecule card · MolClass #39881
4263637
4263637: 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
- 4263637Mitochondrial Fusion · compound_name
- MolClass ID
- 39881
- InChIKey
- DHXWVWPVLLJSRG-UHFFFAOYSA-N
- Canonical SMILES
- C1CCCC2(CC1)(Nc4cccc3cccc(N2)c34)
- Standard InChI
- InChI=1S/C17H20N2/c1-2-4-12-17(11-3-1)18-14-9-5-7-13-8-6-10-15(19-17)16(13)14/h5-10,18-19H,1-4,11-12H2
- Stored Murcko scaffold
- c1cc2cccc3NC4(Nc(c1)c23)CCCCCC4
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
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 0
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 24.06 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 252.355 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.898
- 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 · 4263637