Molecule card · MolClass #38012
24798729
24798729: 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
- 24798729Mitochondrial Fusion · compound_name
- MolClass ID
- 38012
- InChIKey
- QUGWVBLHJWELDV-UHFFFAOYSA-N
- Canonical SMILES
- CCOc1ccc(cc1)CN2CCN(CC2(CCO))Cc3cccn3c4ncccn4
- Standard InChI
- InChI=1S/C24H31N5O2/c1-2-31-23-8-6-20(7-9-23)17-28-15-14-27(18-21(28)10-16-30)19-22-5-3-13-29(22)24-25-11-4-12-26-24/h3-9,11-13,21,30H,2,10,14-19H2,1H3
- Stored Murcko scaffold
- n1cccnc1-n2cccc2CN3CCN(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.
- 24799949#36531
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
- 9
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 66.65 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 421.536 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.262
- 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 · 24798729