Molecule card · MolClass #49442
24802916
24802916: 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
- 24802916Mitochondrial Fusion · compound_name
- MolClass ID
- 49442
- InChIKey
- JZFVMTKUEHVOSZ-UHFFFAOYSA-N
- Canonical SMILES
- CCCCCCCc1ccc(nc1)c2ccc(O)cc2
- Standard InChI
- InChI=1S/C18H23NO/c1-2-3-4-5-6-7-15-8-13-18(19-14-15)16-9-11-17(20)12-10-16/h8-14,20H,2-7H2,1H3
- Stored Murcko scaffold
- n1ccccc1-c2ccccc2
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.
View all molecules with this scaffold →Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 2
- 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
- 33.12 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 269.382 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.928
- 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 · 24802916