Molecule card · MolClass #49710
24784909
24784909: 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
- 24784909Mitochondrial Fusion · compound_name
- MolClass ID
- 49710
- InChIKey
- TTWSYXDBOSZXTO-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ncoc1C(=O)N2CCCC(C2)C(=O)c3ccc(cc3)c4ccccc4
- Standard InChI
- InChI=1S/C23H22N2O3/c1-16-22(28-15-24-16)23(27)25-13-5-8-20(14-25)21(26)19-11-9-18(10-12-19)17-6-3-2-4-7-17/h2-4,6-7,9-12,15,20H,5,8,13-14H2,1H3
- Stored Murcko scaffold
- n1coc(c1)[CH]N2CCCC([CH]c3ccc(cc3)-c4ccccc4)C2
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 63.41 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 374.433 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.797
- 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 · 24784909