Molecule card · MolClass #49065
24826466
24826466: 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
- 24826466Mitochondrial Fusion · compound_name
- MolClass ID
- 49065
- InChIKey
- UJQXZVLPQFZFJK-UHFFFAOYSA-N
- Canonical SMILES
- Cc1c3ccccc3(nc2CCC(Cc12)C(C)(C)C)
- Standard InChI
- InChI=1S/C18H23N/c1-12-14-7-5-6-8-16(14)19-17-10-9-13(11-15(12)17)18(2,3)4/h5-8,13H,9-11H2,1-4H3
- Stored Murcko scaffold
- n1c2ccccc2cc3c1CCCC3
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.
- LOPAC 00564#89
- LOPAC 00947#526
- 3198-41-2#2594
- 92280-01-8#2990
- 24829893#32537
- 859964#52379
- Cl.Nc1c2CCCCc2nc2ccccc12#153850
- Nc1c2ccccc2nc2CCCC(O)c12.OC(=O)C=CC(O)=O#153962
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 1
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 12.89 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 253.383 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.671
- 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 · 24826466