Molecule card · MolClass #42008
24798086
24798086: 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
- 24798086Mitochondrial Fusion · compound_name
- MolClass ID
- 42008
- InChIKey
- GVXIPHFHZWKCAH-UHFFFAOYSA-N
- Canonical SMILES
- CCOc4ccccc4(CN3CCN(Cc2cn(C)nc2(c1ccccc1))CC3(CCO))
- Standard InChI
- InChI=1S/C26H34N4O2/c1-3-32-25-12-8-7-11-22(25)19-30-15-14-29(20-24(30)13-16-31)18-23-17-28(2)27-26(23)21-9-5-4-6-10-21/h4-12,17,24,31H,3,13-16,18-20H2,1-2H3
- Stored Murcko scaffold
- n1[nH]cc(c1-c2ccccc2)CN3CCN(Cc4ccccc4)CC3
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
- 9
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 53.76 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 434.575 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.538
- 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 · 24798086