Molecule card · MolClass #50756
17432818
17432818: 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
- 17432818Mitochondrial Fusion · compound_name
- MolClass ID
- 50756
- InChIKey
- MHORRHCMNRESSG-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cc(C)c(C)c(c1)OCCCOc3cccc2cccnc23
- Standard InChI
- InChI=1S/C21H23NO2/c1-15-13-16(2)17(3)20(14-15)24-12-6-11-23-19-9-4-7-18-8-5-10-22-21(18)19/h4-5,7-10,13-14H,6,11-12H2,1-3H3
- Stored Murcko scaffold
- n1cccc2cccc(OCCCOc3ccccc3)c12
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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 1
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 31.35 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 321.414 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.225
- 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 · 17432818