Molecule card · MolClass #52258
3715228
3715228: 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
- 3715228Mitochondrial Fusion · compound_name
- MolClass ID
- 52258
- InChIKey
- RXGOVROXXAMPGX-UHFFFAOYSA-N
- Canonical SMILES
- Cc3ccccc3(NC(=O)CNc1ccccc1N2CCCCC2)
- Standard InChI
- InChI=1S/C20H25N3O/c1-16-9-3-4-10-17(16)22-20(24)15-21-18-11-5-6-12-19(18)23-13-7-2-8-14-23/h3-6,9-12,21H,2,7-8,13-15H2,1H3,(H,22,24)
- Stored Murcko scaffold
- c1ccc(cc1)N[CH]CNc2ccccc2N3CCCCC3
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
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 44.37 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 323.433 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.825
- 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 · 3715228