Molecule card · MolClass #50302
17517469
17517469: 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
- 17517469Mitochondrial Fusion · compound_name
- MolClass ID
- 50302
- InChIKey
- BMBWRFABZOCADR-UHFFFAOYSA-N
- Canonical SMILES
- Cc3ccccc3(CN(C)CC(=O)Nc2ccccc2(c1ccccc1))
- Standard InChI
- InChI=1S/C23H24N2O/c1-18-10-6-7-13-20(18)16-25(2)17-23(26)24-22-15-9-8-14-21(22)19-11-4-3-5-12-19/h3-15H,16-17H2,1-2H3,(H,24,26)
- Stored Murcko scaffold
- c1ccc(cc1)-c2ccccc2N[CH]CNCc3ccccc3
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.
- 24834266#49029
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
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 32.34 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 344.45 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.888
- 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 · 17517469