Molecule card · MolClass #37849
24799364
24799364: 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
- 24799364Mitochondrial Fusion · compound_name
- MolClass ID
- 37849
- InChIKey
- BIWXYIQEVMAOLN-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1)C2(CCCC2)c3noc(CN(C)CCO)n3
- Standard InChI
- InChI=1S/C18H25N3O2/c1-14-5-7-15(8-6-14)18(9-3-4-10-18)17-19-16(23-20-17)13-21(2)11-12-22/h5-8,22H,3-4,9-13H2,1-2H3
- Stored Murcko scaffold
- n1ocnc1C2(c3ccccc3)CCCC2
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
- 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
- 62.39 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 315.411 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.177
- 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 · 24799364