Molecule card · MolClass #49759
24783823
24783823: 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
- 24783823Mitochondrial Fusion · compound_name
- MolClass ID
- 49759
- InChIKey
- UWPVCRCVQCPTCT-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1)c2cc(no2)C(=O)N4CCCc3ccccc34
- Standard InChI
- InChI=1S/C20H18N2O2/c1-14-8-10-16(11-9-14)19-13-17(21-24-19)20(23)22-12-4-6-15-5-2-3-7-18(15)22/h2-3,5,7-11,13H,4,6,12H2,1H3
- Stored Murcko scaffold
- n1oc(cc1[CH]N2c3ccccc3CCC2)-c4ccccc4
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
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 46.34 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 318.37 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.369
- 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 · 24783823