Molecule card · MolClass #43383
24783788
24783788: 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
- 24783788Mitochondrial Fusion · compound_name
- MolClass ID
- 43383
- InChIKey
- RVDYIGTWGYRGGN-UHFFFAOYSA-N
- Canonical SMILES
- CC(C)N3CCN(Cc1cccc(c1)c2ccco2)CC3(CCO)
- Standard InChI
- InChI=1S/C20H28N2O2/c1-16(2)22-10-9-21(15-19(22)8-11-23)14-17-5-3-6-18(13-17)20-7-4-12-24-20/h3-7,12-13,16,19,23H,8-11,14-15H2,1-2H3
- Stored Murcko scaffold
- o1cccc1-c2cccc(c2)CN3CCNCC3
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.
- 24799661#45256
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 39.85 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 328.449 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.625
- 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 · 24783788